2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide

C17H12Cl2N2OS2 — CID 4830075

IUPAC2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSc1ccccc1Cl)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C17H12Cl2N2OS2/c18-12-6-2-1-5-11(12)14-9-24-17(20-14)21-16(22)10-23-15-8-4-3-7-13(15)19/h1-9H,10H2,(H,20,21,22)
InChIKeyLTOYYHIGFJDTQA-UHFFFAOYSA-N
MW395.34 g/mol
LogP5.85
Rot. Bonds5

About 2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide

2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 4830075) has the molecular formula C17H12Cl2N2OS2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID4830075
Molecular FormulaC17H12Cl2N2OS2
Molecular Weight395.34 g/mol
Exact Mass393.98
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSc1ccccc1Cl)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C17H12Cl2N2OS2/c18-12-6-2-1-5-11(12)14-9-24-17(20-14)21-16(22)10-23-15-8-4-3-7-13(15)19/h1-9H,10H2,(H,20,21,22)
InChIKeyLTOYYHIGFJDTQA-UHFFFAOYSA-N
XLogP5.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.34
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 35966048
[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,3,4-trichlorophenyl)sulfanylacetate
CID 23738511
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenyl)sulfanylacetamide
CID 3822119
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19315983
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 47029696
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 78838502
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 8609952
N-[3-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 18900590
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
2-[[3-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895058
N-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 78803762

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 4830075) is 2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(CSc1ccccc1Cl)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LTOYYHIGFJDTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS2/c18-12-6-2-1-5-11(12)14-9-24-17(20-14)21-16(22)10-23-15-8-4-3-7-13(15)19/h1-9H,10H2,(H,20,21,22).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 395.34 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 4830075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).