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

C17H11Cl3N2OS — CID 4244031

IUPAC2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C17H11Cl3N2OS/c18-12-4-1-10(2-5-12)7-16(23)22-17-21-15(9-24-17)11-3-6-13(19)14(20)8-11/h1-6,8-9H,7H2,(H,21,22,23)
InChIKeyGNMVGCRFRYIDFD-UHFFFAOYSA-N
MW397.71 g/mol
LogP5.95
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 4244031) has the molecular formula C17H11Cl3N2OS and a molecular weight of 397.71 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID4244031
Molecular FormulaC17H11Cl3N2OS
Molecular Weight397.71 g/mol
Exact Mass395.97
IUPAC Name2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
InChIInChI=1S/C17H11Cl3N2OS/c18-12-4-1-10(2-5-12)7-16(23)22-17-21-15(9-24-17)11-3-6-13(19)14(20)8-11/h1-6,8-9H,7H2,(H,21,22,23)
InChIKeyGNMVGCRFRYIDFD-UHFFFAOYSA-N
XLogP5.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.71
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16562173
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-(4-chlorophenyl)acetamide
CID 16911259
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
2-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 8748052
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849309
(2Z)-3-(4-chlorophenyl)-2-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]propanoic acid
CID 118706350
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951199
[4-[2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenyl] butanoate
CID 123388088
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183
2-(3,4-dichlorophenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 7915774

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 4244031) is 2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is GNMVGCRFRYIDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2OS/c18-12-4-1-10(2-5-12)7-16(23)22-17-21-15(9-24-17)11-3-6-13(19)14(20)8-11/h1-6,8-9H,7H2,(H,21,22,23).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 397.71 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 4244031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).