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

C17H12Cl2N2OS — CID 108748184

IUPAC2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H12Cl2N2OS/c18-9-16(22)20-14-7-3-11(4-8-14)15-10-23-17(21-15)12-1-5-13(19)6-2-12/h1-8,10H,9H2,(H,20,22)
InChIKeyHIVUTJYDSOSVIP-UHFFFAOYSA-N
MW363.27 g/mol
LogP5.31
Rot. Bonds4

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

2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide (PubChem CID 108748184) has the molecular formula C17H12Cl2N2OS and a molecular weight of 363.27 g/mol. Its IUPAC name is 2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
PubChem CID108748184
Molecular FormulaC17H12Cl2N2OS
Molecular Weight363.27 g/mol
Exact Mass362.00
IUPAC Name2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C17H12Cl2N2OS/c18-9-16(22)20-14-7-3-11(4-8-14)15-10-23-17(21-15)12-1-5-13(19)6-2-12/h1-8,10H,9H2,(H,20,22)
InChIKeyHIVUTJYDSOSVIP-UHFFFAOYSA-N
XLogP5.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.27
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]pentanamide
CID 108748145
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,3-diphenylpropanamide
CID 108748251
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-phenylurea
CID 108784173
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
3-(2-chlorophenoxy)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 108811086
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3,4-trifluorobenzamide
CID 108748174
2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 42764618
1-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-prop-2-enylthiourea
CID 108784177
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-(dimethylamino)benzamide
CID 108748167
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 8962915
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 9173882

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide (CID 108748184) is 2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide is O=C(CCl)Nc1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
The InChIKey is HIVUTJYDSOSVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS/c18-9-16(22)20-14-7-3-11(4-8-14)15-10-23-17(21-15)12-1-5-13(19)6-2-12/h1-8,10H,9H2,(H,20,22).
What are the key properties of 2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide?
2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide has a molecular weight of 363.27 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 108748184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).