2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile

C6H7N3S2 — CID 24706792

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile
SMILESCc1nc(N)sc1SCC#N
InChIInChI=1S/C6H7N3S2/c1-4-5(10-3-2-7)11-6(8)9-4/h3H2,1H3,(H2,8,9)
InChIKeyNYHFYHGWZWEWBU-UHFFFAOYSA-N
MW185.28 g/mol
LogP1.65
Rot. Bonds2

About 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile (PubChem CID 24706792) has the molecular formula C6H7N3S2 and a molecular weight of 185.28 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile
PubChem CID24706792
Molecular FormulaC6H7N3S2
Molecular Weight185.28 g/mol
Exact Mass185.01
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile
SMILESCc1nc(N)sc1SCC#N
InChIInChI=1S/C6H7N3S2/c1-4-5(10-3-2-7)11-6(8)9-4/h3H2,1H3,(H2,8,9)
InChIKeyNYHFYHGWZWEWBU-UHFFFAOYSA-N
XLogP1.65
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile (CID 24706792) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile is Cc1nc(N)sc1SCC#N.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile?
The InChIKey is NYHFYHGWZWEWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S2/c1-4-5(10-3-2-7)11-6(8)9-4/h3H2,1H3,(H2,8,9).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile has a molecular weight of 185.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile is sourced from PubChem (CID 24706792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).