4-amino-5-methyl-1,3-thiazole-2-carbonitrile

C5H5N3S — CID 130118597

IUPAC4-amino-5-methyl-1,3-thiazole-2-carbonitrile
SMILESCc1sc(C#N)nc1N
InChIInChI=1S/C5H5N3S/c1-3-5(7)8-4(2-6)9-3/h7H2,1H3
InChIKeyIZOWTRCWEWKIHH-UHFFFAOYSA-N
MW139.18 g/mol
LogP0.91
Rot. Bonds

About 4-amino-5-methyl-1,3-thiazole-2-carbonitrile

4-amino-5-methyl-1,3-thiazole-2-carbonitrile (PubChem CID 130118597) has the molecular formula C5H5N3S and a molecular weight of 139.18 g/mol. Its IUPAC name is 4-amino-5-methyl-1,3-thiazole-2-carbonitrile.

Molecular Properties

Compound Name4-amino-5-methyl-1,3-thiazole-2-carbonitrile
PubChem CID130118597
Molecular FormulaC5H5N3S
Molecular Weight139.18 g/mol
Exact Mass139.02
IUPAC Name4-amino-5-methyl-1,3-thiazole-2-carbonitrile
SMILESCc1sc(C#N)nc1N
InChIInChI=1S/C5H5N3S/c1-3-5(7)8-4(2-6)9-3/h7H2,1H3
InChIKeyIZOWTRCWEWKIHH-UHFFFAOYSA-N
XLogP0.91
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide
CID 121308341
4-amino-2-methyl-6-(sulfanylmethyl)pyrimidine-5-carbonitrile
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5-amino-6-methylpyrazine-2,3-dicarbonitrile
CID 71440315
2-cyclobutyl-5-methyl-1,3-thiazol-4-amine
CID 83108026
5-methyl-2-pyrimidin-2-yl-1,3-thiazol-4-amine
CID 83107646
2-amino-4,5-dimethyl-6-(methylamino)pyridine-3-carbonitrile
CID 147347191
5,6-diamino-2,4-dimethylpyridine-3-carbonitrile
CID 54463519
2-amino-6-(4-methylphenyl)thieno[3,4-d][1,3]oxazole-4-carbonitrile
CID 91715411
3,5-diaminopyrazine-2,6-dicarbonitrile
CID 19022925
(4,5,6-triaminopyrimidin-2-yl)cyanamide
CID 59064757
5-amino-11,16-dimethyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,10,17-tricarbonitrile
CID 70856637
4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile
CID 165447959

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-1,3-thiazole-2-carbonitrile?
The IUPAC name of 4-amino-5-methyl-1,3-thiazole-2-carbonitrile (CID 130118597) is 4-amino-5-methyl-1,3-thiazole-2-carbonitrile.
What is the SMILES notation for 4-amino-5-methyl-1,3-thiazole-2-carbonitrile?
The canonical SMILES for 4-amino-5-methyl-1,3-thiazole-2-carbonitrile is Cc1sc(C#N)nc1N.
What is the InChIKey of 4-amino-5-methyl-1,3-thiazole-2-carbonitrile?
The InChIKey is IZOWTRCWEWKIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3S/c1-3-5(7)8-4(2-6)9-3/h7H2,1H3.
What are the key properties of 4-amino-5-methyl-1,3-thiazole-2-carbonitrile?
4-amino-5-methyl-1,3-thiazole-2-carbonitrile has a molecular weight of 139.18 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-1,3-thiazole-2-carbonitrile is sourced from PubChem (CID 130118597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).