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

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

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

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170802-11-5]
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[1171337-26-0]
Ethyl 3-(1-(4-chloro-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170042-55-3]
Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[697245-66-2]
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
[73185-75-8]
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate

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