3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide

C16H13ClN2O3S3 — CID 7195532

IUPAC3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C16H13ClN2O3S3/c17-14-7-6-13(24-14)12-10-23-16(18-12)19-15(20)8-9-25(21,22)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19,20)
InChIKeyRZRSHOHPLJKJAQ-UHFFFAOYSA-N
MW412.95 g/mol
LogP4.33
Rot. Bonds6

About 3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide

3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide (PubChem CID 7195532) has the molecular formula C16H13ClN2O3S3 and a molecular weight of 412.95 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide
PubChem CID7195532
Molecular FormulaC16H13ClN2O3S3
Molecular Weight412.95 g/mol
Exact Mass411.98
IUPAC Name3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C16H13ClN2O3S3/c17-14-7-6-13(24-14)12-10-23-16(18-12)19-15(20)8-9-25(21,22)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19,20)
InChIKeyRZRSHOHPLJKJAQ-UHFFFAOYSA-N
XLogP4.33
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.95
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(4-(thiophen-2-yl)thiazol-2-yl)thiophene-2-carboxamide
CID 3567787
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2168035
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4168447
N-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 693802
N-[4-(5-chloro-2-thienyl)-1,3-thiazol-2-yl]benzamide
CID 801259
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 2158858
N-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2740553
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 5093386
N-(4-(5-chlorothiophen-2-yl)thiazol-2-yl)-2-(4-(methylsulfonyl)phenyl)acetamide
CID 16833194
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 4834251
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 5098079
4-(5-chlorothiophen-2-yl)-N-phenyl-1,3-thiazol-2-amine
CID 2809410

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide (CID 7195532) is 3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is RZRSHOHPLJKJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S3/c17-14-7-6-13(24-14)12-10-23-16(18-12)19-15(20)8-9-25(21,22)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19,20).
What are the key properties of 3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide?
3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 412.95 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 7195532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).