2-(Methylamino)-5-isopropyl-1,3,4-thiadiazole - CAS 54759-66-9

Name: 2-(Methylamino)-5-isopropyl-1,3,4-thiadiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028812
Product Name:	2-(Methylamino)-5-isopropyl-1,3,4-thiadiazole
CAS:	54759-66-9
Synonyms:	N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine; N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine
Description:	2-(Methylamino)-5-isopropyl-1,3,4-thiadiazole (CAS# 54759-66-9) is a useful research chemical.
Molecular Weight:	157.24
Molecular Formula:	C6H11N3S
Canonical SMILES:	CC(C)C1=NN=C(S1)NC
InChI:	InChI=1S/C6H11N3S/c1-4(2)5-8-9-6(7-3)10-5/h4H,1-3H3,(H,7,9)
InChI Key:	BBLUGQBCSCBONW-UHFFFAOYSA-N
LogP:	1.77620

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Related Functional Groups

Oxadiazole/Thiadiazole

[881476-28-4]C14H11F3N4O3
Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
[1170931-46-0]C11H13N5O5
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[1170977-40-8]C14H15F3N4O3
Ethyl 3-(2-(3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1172750-87-6]C14H15F3N4O3
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1006326-48-2]C12H14N6O2S
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
[73185-75-8]C11H9N3O5
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate

Publication Number	Title	Priority Date
US-2019169181-A1	Fumagillol compounds and methods of making and using same	20160811
US-2020216419-A1	Benzimidazoles for use in the treatment of cancer and inflammatory diseases	20150923
US-2021061816-A1	Benzimidazole derivatives as erbb tyrosine kinase inhibitors for the treatment of cancer	20140320
US-2011166146-A1	IMIDAZO[1,2-a]PYRIDINE COMPOUNDS	20080519
US-2013289013-A1	IMIDAZO[1,2-a]PYRIDINE COMPOUNDS	20080519

Complexity:	107
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.06736854
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.06736854
Rotatable Bond Count:	2
Topological Polar Surface Area:	66
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8