4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C16H13N3OS2 — CID 22581408

IUPAC4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C16H13N3OS2/c1-21-12-7-5-11(6-8-12)15(20)19-16-18-14(10-22-16)13-4-2-3-9-17-13/h2-10H,1H3,(H,18,19,20)
InChIKeyNZGXQIAKLVEMPP-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.18
Rot. Bonds4

About 4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 22581408) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID22581408
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC Name4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCSc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1
InChIInChI=1S/C16H13N3OS2/c1-21-12-7-5-11(6-8-12)15(20)19-16-18-14(10-22-16)13-4-2-3-9-17-13/h2-10H,1H3,(H,18,19,20)
InChIKeyNZGXQIAKLVEMPP-UHFFFAOYSA-N
XLogP4.18
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide 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 4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 22581408) is 4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is CSc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1.
What is the InChIKey of 4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is NZGXQIAKLVEMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS2/c1-21-12-7-5-11(6-8-12)15(20)19-16-18-14(10-22-16)13-4-2-3-9-17-13/h2-10H,1H3,(H,18,19,20).
What are the key properties of 4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 327.43 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 22581408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).