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

C20H17ClN2OS3 — CID 31445049

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(C2SCCS2)c1
InChIInChI=1S/C20H17ClN2OS3/c21-17-7-2-1-6-16(17)19-23-15(12-27-19)11-18(24)22-14-5-3-4-13(10-14)20-25-8-9-26-20/h1-7,10,12,20H,8-9,11H2,(H,22,24)
InChIKeyOJVHAZMLSIVRLI-UHFFFAOYSA-N
MW433.02 g/mol
LogP6.12
Rot. Bonds5

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

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide (PubChem CID 31445049) has the molecular formula C20H17ClN2OS3 and a molecular weight of 433.02 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
PubChem CID31445049
Molecular FormulaC20H17ClN2OS3
Molecular Weight433.02 g/mol
Exact Mass432.02
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(C2SCCS2)c1
InChIInChI=1S/C20H17ClN2OS3/c21-17-7-2-1-6-16(17)19-23-15(12-27-19)11-18(24)22-14-5-3-4-13(10-14)20-25-8-9-26-20/h1-7,10,12,20H,8-9,11H2,(H,22,24)
InChIKeyOJVHAZMLSIVRLI-UHFFFAOYSA-N
XLogP6.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.02
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide
CID 31013739
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 38828534
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 31013767
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 38808969
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
N-(3-acetylphenyl)-2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 9095733
N-tert-butyl-4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 46539791
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250407
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 78823470
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 9399292
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 30795401

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide (CID 31445049) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide is O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(C2SCCS2)c1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide?
The InChIKey is OJVHAZMLSIVRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2OS3/c21-17-7-2-1-6-16(17)19-23-15(12-27-19)11-18(24)22-14-5-3-4-13(10-14)20-25-8-9-26-20/h1-7,10,12,20H,8-9,11H2,(H,22,24).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide has a molecular weight of 433.02 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(1,3-dithiolan-2-yl)phenyl]acetamide is sourced from PubChem (CID 31445049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).