2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide

C12H13N3OS2 — CID 24701812

IUPAC2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2cnc(N)s2)c1
InChIInChI=1S/C12H13N3OS2/c1-8-3-2-4-9(5-8)15-10(16)7-17-11-6-14-12(13)18-11/h2-6H,7H2,1H3,(H2,13,14)(H,15,16)
InChIKeyHTXKNOUELDWFJE-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.76
Rot. Bonds4

About 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide

2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide (PubChem CID 24701812) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide
PubChem CID24701812
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2cnc(N)s2)c1
InChIInChI=1S/C12H13N3OS2/c1-8-3-2-4-9(5-8)15-10(16)7-17-11-6-14-12(13)18-11/h2-6H,7H2,1H3,(H2,13,14)(H,15,16)
InChIKeyHTXKNOUELDWFJE-UHFFFAOYSA-N
XLogP2.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 24691872
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-bromophenyl)acetamide
CID 24706271
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3,4-difluorophenyl)acetamide
CID 43250054
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(4-propylphenyl)acetamide
CID 43249738
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 2660669
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 701583
6-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 61304933
2-[[5-(4-aminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 4023841
N-(3-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 712248
N-(3-methylphenyl)-2-[(5-methyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 123185747
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide (CID 24701812) is 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2cnc(N)s2)c1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
The InChIKey is HTXKNOUELDWFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-8-3-2-4-9(5-8)15-10(16)7-17-11-6-14-12(13)18-11/h2-6H,7H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide?
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide has a molecular weight of 279.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 24701812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).