N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide

C19H14N2OS3 — CID 7918509

IUPACN-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)cc1
InChIInChI=1S/C19H14N2OS3/c1-12-6-8-13(9-7-12)18(22)21-19-20-16(14-4-2-10-23-14)17(25-19)15-5-3-11-24-15/h2-11H,1H3,(H,20,21,22)
InChIKeyAFMZGRBJSQOFRG-UHFFFAOYSA-N
MW382.54 g/mol
LogP6.16
Rot. Bonds4

About N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide

N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide (PubChem CID 7918509) has the molecular formula C19H14N2OS3 and a molecular weight of 382.54 g/mol. Its IUPAC name is N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide
PubChem CID7918509
Molecular FormulaC19H14N2OS3
Molecular Weight382.54 g/mol
Exact Mass382.03
IUPAC NameN-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)cc1
InChIInChI=1S/C19H14N2OS3/c1-12-6-8-13(9-7-12)18(22)21-19-20-16(14-4-2-10-23-14)17(25-19)15-5-3-11-24-15/h2-11H,1H3,(H,20,21,22)
InChIKeyAFMZGRBJSQOFRG-UHFFFAOYSA-N
XLogP6.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.54
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide 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

cis-(1S,2R)-N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-methylcyclopropane-1-carboxamide
CID 2536061
4-methyl-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide
CID 7711079
4-methyl-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 751469
4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)quinoxaline-6-carboxamide
CID 3273240
4-methyl-N-(4-thiophen-2-ylpyrimidin-2-yl)benzamide
CID 3698321
N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 861899
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 7918511
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 4877560
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-1-phenylcyclopropane-1-carboxamide
CID 2461024
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide?
The IUPAC name of N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide (CID 7918509) is N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)cc1.
What is the InChIKey of N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide?
The InChIKey is AFMZGRBJSQOFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS3/c1-12-6-8-13(9-7-12)18(22)21-19-20-16(14-4-2-10-23-14)17(25-19)15-5-3-11-24-15/h2-11H,1H3,(H,20,21,22).
What are the key properties of N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide?
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide has a molecular weight of 382.54 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide is sourced from PubChem (CID 7918509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).