4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

C16H14N2OS3 — CID 7579191

IUPAC4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCCSc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C16H14N2OS3/c1-2-20-12-7-5-11(6-8-12)15(19)18-16-17-13(10-22-16)14-4-3-9-21-14/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyJGWUXNACTABSJJ-UHFFFAOYSA-N
MW346.50 g/mol
LogP5.24
Rot. Bonds5

About 4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 7579191) has the molecular formula C16H14N2OS3 and a molecular weight of 346.50 g/mol. Its IUPAC name is 4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID7579191
Molecular FormulaC16H14N2OS3
Molecular Weight346.50 g/mol
Exact Mass346.03
IUPAC Name4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCCSc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1
InChIInChI=1S/C16H14N2OS3/c1-2-20-12-7-5-11(6-8-12)15(19)18-16-17-13(10-22-16)14-4-3-9-21-14/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyJGWUXNACTABSJJ-UHFFFAOYSA-N
XLogP5.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylpropoxy)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 108742096
4-ethylsulfanyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 41044361
4-ethylsulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 7295253
4-(4-methylphenyl)sulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
CID 41086076
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 55604969
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-ethylsulfanylbenzamide
CID 41028551
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 78778709
6-methoxy-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 51260316
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 31845736
4-(tetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 51149957
4-(thiophen-2-ylsulfonylamino)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
CID 55376558
4-methoxy-N-[3-[2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]benzamide
CID 18899663

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 7579191) is 4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is CCSc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1.
What is the InChIKey of 4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is JGWUXNACTABSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS3/c1-2-20-12-7-5-11(6-8-12)15(19)18-16-17-13(10-22-16)14-4-3-9-21-14/h3-10H,2H2,1H3,(H,17,18,19).
What are the key properties of 4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 346.50 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 7579191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).