2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide

C23H17ClN2O2S — CID 46066640

IUPAC2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1csc(-c2cccc(OCc3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C23H17ClN2O2S/c24-18-11-9-16(10-12-18)14-28-20-8-4-5-17(13-20)23-26-21(15-29-23)22(27)25-19-6-2-1-3-7-19/h1-13,15H,14H2,(H,25,27)
InChIKeyGJXUCDRTUBDQFP-UHFFFAOYSA-N
MW420.92 g/mol
LogP6.29
Rot. Bonds6

About 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide

2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 46066640) has the molecular formula C23H17ClN2O2S and a molecular weight of 420.92 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
PubChem CID46066640
Molecular FormulaC23H17ClN2O2S
Molecular Weight420.92 g/mol
Exact Mass420.07
IUPAC Name2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1csc(-c2cccc(OCc3ccc(Cl)cc3)c2)n1
InChIInChI=1S/C23H17ClN2O2S/c24-18-11-9-16(10-12-18)14-28-20-8-4-5-17(13-20)23-26-21(15-29-23)22(27)25-19-6-2-1-3-7-19/h1-13,15H,14H2,(H,25,27)
InChIKeyGJXUCDRTUBDQFP-UHFFFAOYSA-N
XLogP6.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.92
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066287
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066553
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 42865866
2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 83287859
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381
methyl 2-(3-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 169498475
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 33266017
2-[4-[(2,5-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46164959
2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46065798
2-[3-[(2,5-difluorophenyl)methoxy]phenyl]-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 42866147
2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866122
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide (CID 46066640) is 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1)c1csc(-c2cccc(OCc3ccc(Cl)cc3)c2)n1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is GJXUCDRTUBDQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2S/c24-18-11-9-16(10-12-18)14-28-20-8-4-5-17(13-20)23-26-21(15-29-23)22(27)25-19-6-2-1-3-7-19/h1-13,15H,14H2,(H,25,27).
What are the key properties of 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide?
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 420.92 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46066640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).