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

C17H12ClN3O3S — CID 42992045

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C17H12ClN3O3S/c18-14-4-2-1-3-13(14)15-10-25-17(19-15)20-16(22)9-11-5-7-12(8-6-11)21(23)24/h1-8,10H,9H2,(H,19,20,22)
InChIKeyRRXLAXDKWLDSQZ-UHFFFAOYSA-N
MW373.82 g/mol
LogP4.55
Rot. Bonds5

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

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide (PubChem CID 42992045) has the molecular formula C17H12ClN3O3S and a molecular weight of 373.82 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide
PubChem CID42992045
Molecular FormulaC17H12ClN3O3S
Molecular Weight373.82 g/mol
Exact Mass373.03
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C17H12ClN3O3S/c18-14-4-2-1-3-13(14)15-10-25-17(19-15)20-16(22)9-11-5-7-12(8-6-11)21(23)24/h1-8,10H,9H2,(H,19,20,22)
InChIKeyRRXLAXDKWLDSQZ-UHFFFAOYSA-N
XLogP4.55
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.82
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 4117062
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 78838502
N-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 78803762
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(4-nitrophenyl)acetamide
CID 90626132
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 42995912
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 118986380
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
N-(2-chloro-4-nitrophenyl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84550703
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-3,5-dinitrobenzamide
CID 19195225
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860914
2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 10450021

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide (CID 42992045) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide?
The InChIKey is RRXLAXDKWLDSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O3S/c18-14-4-2-1-3-13(14)15-10-25-17(19-15)20-16(22)9-11-5-7-12(8-6-11)21(23)24/h1-8,10H,9H2,(H,19,20,22).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide has a molecular weight of 373.82 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 42992045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).