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

C18H17ClN2OS3 — CID 24533247

IUPAC2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
SMILESCSc1ccc(Cl)c(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c1
InChIInChI=1S/C18H17ClN2OS3/c1-11-21-16(10-24-11)17-6-4-12(25-17)7-8-20-18(22)14-9-13(23-2)3-5-15(14)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,22)
InChIKeyKXFYPCHUDFBAMR-UHFFFAOYSA-N
MW409.00 g/mol
LogP5.53
Rot. Bonds6

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

2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide (PubChem CID 24533247) has the molecular formula C18H17ClN2OS3 and a molecular weight of 409.00 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
PubChem CID24533247
Molecular FormulaC18H17ClN2OS3
Molecular Weight409.00 g/mol
Exact Mass408.02
IUPAC Name2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
SMILESCSc1ccc(Cl)c(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c1
InChIInChI=1S/C18H17ClN2OS3/c1-11-21-16(10-24-11)17-6-4-12(25-17)7-8-20-18(22)14-9-13(23-2)3-5-15(14)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,22)
InChIKeyKXFYPCHUDFBAMR-UHFFFAOYSA-N
XLogP5.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.00
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 27294304
3,4-dichloro-N-[2-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethylamino]-2-oxoethyl]benzamide
CID 42575181
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide
CID 18284447
3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 33212111
2-hydroxy-4-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 42574858
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42575300
2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42575034
2-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 119696595
2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 33218960

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide (CID 24533247) is 2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide is CSc1ccc(Cl)c(C(=O)NCCc2ccc(-c3csc(C)n3)s2)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide?
The InChIKey is KXFYPCHUDFBAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2OS3/c1-11-21-16(10-24-11)17-6-4-12(25-17)7-8-20-18(22)14-9-13(23-2)3-5-15(14)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,22).
What are the key properties of 2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide?
2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide has a molecular weight of 409.00 g/mol, XLogP of 5.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide is sourced from PubChem (CID 24533247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).