4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide

C17H15N3OS2 — CID 27711486

IUPAC4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide
SMILESCc1csc(SCc2ccc(C(=O)Nc3cccnc3)cc2)n1
InChIInChI=1S/C17H15N3OS2/c1-12-10-22-17(19-12)23-11-13-4-6-14(7-5-13)16(21)20-15-3-2-8-18-9-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyHNJAVPHCBLZECR-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.39
Rot. Bonds5

About 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide

4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide (PubChem CID 27711486) has the molecular formula C17H15N3OS2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide
PubChem CID27711486
Molecular FormulaC17H15N3OS2
Molecular Weight341.46 g/mol
Exact Mass341.07
IUPAC Name4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide
SMILESCc1csc(SCc2ccc(C(=O)Nc3cccnc3)cc2)n1
InChIInChI=1S/C17H15N3OS2/c1-12-10-22-17(19-12)23-11-13-4-6-14(7-5-13)16(21)20-15-3-2-8-18-9-15/h2-10H,11H2,1H3,(H,20,21)
InChIKeyHNJAVPHCBLZECR-UHFFFAOYSA-N
XLogP4.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide 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

N-[4-(diethylcarbamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 26899424
N-(3-acetamido-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55847335
4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 30091077
2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
CID 134041922
N-(2-methylpropyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 27538951
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
N-(2-fluoro-4-methylphenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 26522791
N,4-dimethyl-3-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]amino]benzamide
CID 46439270
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 27712069
ethyl 2-[2-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]-1,3-thiazol-4-yl]acetate
CID 8590634
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55960096
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 134016385

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide?
The IUPAC name of 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide (CID 27711486) is 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide?
The canonical SMILES for 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide is Cc1csc(SCc2ccc(C(=O)Nc3cccnc3)cc2)n1.
What is the InChIKey of 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide?
The InChIKey is HNJAVPHCBLZECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS2/c1-12-10-22-17(19-12)23-11-13-4-6-14(7-5-13)16(21)20-15-3-2-8-18-9-15/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide?
4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide has a molecular weight of 341.46 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 27711486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).