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

C18H11ClN2OS3 — CID 171703835

IUPAC4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide
SMILESO=C(Nc1sc(-c2cccs2)nc1-c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClN2OS3/c19-12-7-5-11(6-8-12)16(22)21-18-15(13-3-1-9-23-13)20-17(25-18)14-4-2-10-24-14/h1-10H,(H,21,22)
InChIKeyAERVALPGKKTZPU-UHFFFAOYSA-N
MW402.95 g/mol
LogP6.51
Rot. Bonds4

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

4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide (PubChem CID 171703835) has the molecular formula C18H11ClN2OS3 and a molecular weight of 402.95 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide
PubChem CID171703835
Molecular FormulaC18H11ClN2OS3
Molecular Weight402.95 g/mol
Exact Mass401.97
IUPAC Name4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide
SMILESO=C(Nc1sc(-c2cccs2)nc1-c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C18H11ClN2OS3/c19-12-7-5-11(6-8-12)16(22)21-18-15(13-3-1-9-23-13)20-17(25-18)14-4-2-10-24-14/h1-10H,(H,21,22)
InChIKeyAERVALPGKKTZPU-UHFFFAOYSA-N
XLogP6.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.95
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[5-[(4-chlorobenzoyl)amino]-4-thiophen-2-yl-1,3-thiazol-2-yl]benzamide;1,4-dioxane
CID 45128836
4-chloro-N-[2-[[2-(2-fluorophenoxy)acetyl]amino]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide
CID 34306485
N-[2-[4-(4-chlorophenoxy)phenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]furan-2-carboxamide
CID 71671047
4-chloro-N-(2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 979718
4-chloro-N-[2-[(Z)-1-cyano-2-[4-(diethylamino)phenyl]ethenyl]-4-thiophen-2-yl-1,3-thiazol-5-yl]benzamide
CID 34314198
4-chloro-N-(6-iodo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 166636339
1-[2-(4-chlorophenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]ethanone
CID 10734418
N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide
CID 34115598
4-chloro-N-[2-(cyanomethyl)-4-phenyl-1,3-thiazol-5-yl]benzamide
CID 15497678
N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-4-chlorobenzamide
CID 23889740
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 39985317
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 42947638

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide?
The IUPAC name of 4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide (CID 171703835) is 4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide is O=C(Nc1sc(-c2cccs2)nc1-c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide?
The InChIKey is AERVALPGKKTZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2OS3/c19-12-7-5-11(6-8-12)16(22)21-18-15(13-3-1-9-23-13)20-17(25-18)14-4-2-10-24-14/h1-10H,(H,21,22).
What are the key properties of 4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide?
4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide has a molecular weight of 402.95 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dithiophen-2-yl-1,3-thiazol-5-yl)benzamide is sourced from PubChem (CID 171703835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).