2-Amino-5-isopropyl-1,3,4-thiadiazole - CAS 27115-74-8

Catalog:	BB019468
Product Name:	2-Amino-5-isopropyl-1,3,4-thiadiazole
CAS:	27115-74-8
Synonyms:	5-propan-2-yl-1,3,4-thiadiazol-2-amine; 5-propan-2-yl-1,3,4-thiadiazol-2-amine

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-propan-2-yl-1,3,4-thiadiazol-2-amine
Description:	2-Amino-5-isopropyl-1,3,4-thiadiazole (CAS# 27115-74-8) is a useful research chemical.
Molecular Weight:	143.21
Molecular Formula:	C5H9N3S
Canonical SMILES:	CC(C)C1=NN=C(S1)N
InChI:	InChI=1S/C5H9N3S/c1-3(2)4-7-8-5(6)9-4/h3H,1-2H3,(H2,6,8)
InChI Key:	IGBPZWZBEPBBTR-UHFFFAOYSA-N
Boiling Point:	267.7 °C at 760 mmHg
Density:	1.216 g/cm³
LogP:	1.82490

Publication Number	Title	Priority Date
WO-2020116972-A1	Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof	20181206
KR-20200068996-A	Compound for inhibiting PDE9A and medical uses thereof	20181206
CN-113166159-A	Compound with PDE9A inhibitory activity and pharmaceutical use thereof	20181206
EP-3892622-A1	Compounds having pde9a inhibitory activity, and pharmaceutical uses thereof	20181206
WO-2020040104-A1	Bicyclic heteroaromatic ring derivative	20180821

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	96.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.05171847
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.05171847
Rotatable Bond Count:	1
Topological Polar Surface Area:	80 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2