2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide

C16H19N3O2S2 — CID 4882326

IUPAC2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CSc2nc(C)cs2)cc1
InChIInChI=1S/C16H19N3O2S2/c1-11-4-6-13(7-5-11)18-14(20)8-19(3)15(21)10-23-16-17-12(2)9-22-16/h4-7,9H,8,10H2,1-3H3,(H,18,20)
InChIKeyUEAHMENMAFDDAQ-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.95
Rot. Bonds6

About 2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 4882326) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID4882326
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC Name2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CSc2nc(C)cs2)cc1
InChIInChI=1S/C16H19N3O2S2/c1-11-4-6-13(7-5-11)18-14(20)8-19(3)15(21)10-23-16-17-12(2)9-22-16/h4-7,9H,8,10H2,1-3H3,(H,18,20)
InChIKeyUEAHMENMAFDDAQ-UHFFFAOYSA-N
XLogP2.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide (CID 4882326) is 2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CSc2nc(C)cs2)cc1.
What is the InChIKey of 2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is UEAHMENMAFDDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c1-11-4-6-13(7-5-11)18-14(20)8-19(3)15(21)10-23-16-17-12(2)9-22-16/h4-7,9H,8,10H2,1-3H3,(H,18,20).
What are the key properties of 2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 349.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4882326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).