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

C20H15ClN4OS — CID 60613183

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C20H15ClN4OS/c21-17-4-2-1-3-16(17)20-25-15(12-27-20)11-18(26)24-14-7-5-13(6-8-14)19-22-9-10-23-19/h1-10,12H,11H2,(H,22,23)(H,24,26)
InChIKeyLXMWKJZAYUHEFQ-UHFFFAOYSA-N
MW394.89 g/mol
LogP5.03
Rot. Bonds5

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

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide (PubChem CID 60613183) has the molecular formula C20H15ClN4OS and a molecular weight of 394.89 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
PubChem CID60613183
Molecular FormulaC20H15ClN4OS
Molecular Weight394.89 g/mol
Exact Mass394.07
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
SMILESO=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C20H15ClN4OS/c21-17-4-2-1-3-16(17)20-25-15(12-27-20)11-18(26)24-14-7-5-13(6-8-14)19-22-9-10-23-19/h1-10,12H,11H2,(H,22,23)(H,24,26)
InChIKeyLXMWKJZAYUHEFQ-UHFFFAOYSA-N
XLogP5.03
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.89
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 31013767
N-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide
CID 55732643
N-tert-butyl-4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 46539791
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-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 78823470
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 8744734
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 9399292
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide (CID 60613183) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide is O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide?
The InChIKey is LXMWKJZAYUHEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4OS/c21-17-4-2-1-3-16(17)20-25-15(12-27-20)11-18(26)24-14-7-5-13(6-8-14)19-22-9-10-23-19/h1-10,12H,11H2,(H,22,23)(H,24,26).
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide has a molecular weight of 394.89 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 60613183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).