5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

C14H15ClN2OS2 — CID 71974317

IUPAC5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESCCSc1ccc(Cl)cc1C(=O)NCCc1cscn1
InChIInChI=1S/C14H15ClN2OS2/c1-2-20-13-4-3-10(15)7-12(13)14(18)16-6-5-11-8-19-9-17-11/h3-4,7-9H,2,5-6H2,1H3,(H,16,18)
InChIKeyDMVQJBVWBWCCFD-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.88
Rot. Bonds6

About 5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 71974317) has the molecular formula C14H15ClN2OS2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID71974317
Molecular FormulaC14H15ClN2OS2
Molecular Weight326.87 g/mol
Exact Mass326.03
IUPAC Name5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESCCSc1ccc(Cl)cc1C(=O)NCCc1cscn1
InChIInChI=1S/C14H15ClN2OS2/c1-2-20-13-4-3-10(15)7-12(13)14(18)16-6-5-11-8-19-9-17-11/h3-4,7-9H,2,5-6H2,1H3,(H,16,18)
InChIKeyDMVQJBVWBWCCFD-UHFFFAOYSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide 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-(2-aminoethyl)-5-chloro-2-ethylsulfanylbenzamide;hydrochloride
CID 119384225
4-amino-2-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63831646
4-[(5-chloro-2-ethylsulfanylbenzoyl)amino]butanoic acid
CID 119352707
3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874
5-chloro-2-hydroxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49345861
2-chloro-6-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284893
2-fluoro-5-nitro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63823726
3-fluoro-2-(methylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 63824200
3-amino-2,6-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 79773105
2-(ethylamino)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-3-carboxamide
CID 63824011
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-ethylsulfanylbenzamide
CID 120652149
2-bromo-3-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 103854300

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 71974317) is 5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is CCSc1ccc(Cl)cc1C(=O)NCCc1cscn1.
What is the InChIKey of 5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is DMVQJBVWBWCCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS2/c1-2-20-13-4-3-10(15)7-12(13)14(18)16-6-5-11-8-19-9-17-11/h3-4,7-9H,2,5-6H2,1H3,(H,16,18).
What are the key properties of 5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 326.87 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethylsulfanyl-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 71974317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).