2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide

C17H13ClN2O2S — CID 41450831

IUPAC2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide
SMILESO=C(NOCc1ccccc1)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13ClN2O2S/c18-14-8-6-13(7-9-14)17-19-15(11-23-17)16(21)20-22-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21)
InChIKeyJEXMOBFOIPMZLS-UHFFFAOYSA-N
MW344.82 g/mol
LogP4.33
Rot. Bonds5

About 2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide (PubChem CID 41450831) has the molecular formula C17H13ClN2O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide
PubChem CID41450831
Molecular FormulaC17H13ClN2O2S
Molecular Weight344.82 g/mol
Exact Mass344.04
IUPAC Name2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide
SMILESO=C(NOCc1ccccc1)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H13ClN2O2S/c18-14-8-6-13(7-9-14)17-19-15(11-23-17)16(21)20-22-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21)
InChIKeyJEXMOBFOIPMZLS-UHFFFAOYSA-N
XLogP4.33
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorobenzoyl)-2-phenyl-1,3-thiazole-4-carbohydrazide
CID 55386497
N-(2-aminoethyl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 39162463
2-(4-chlorophenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 24649178
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066640
2-(4-chlorophenyl)-N-[2-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 24670372
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066287
3-(2-chlorophenyl)-3-[[2-(4-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 71240031
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523886
benzyl 2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 51238548
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 42865866
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide (CID 41450831) is 2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide is O=C(NOCc1ccccc1)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide?
The InChIKey is JEXMOBFOIPMZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2S/c18-14-8-6-13(7-9-14)17-19-15(11-23-17)16(21)20-22-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide has a molecular weight of 344.82 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-phenylmethoxy-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 41450831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).