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

C23H16Cl2N2O2S — CID 42865866

IUPAC2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1csc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1
InChIInChI=1S/C23H16Cl2N2O2S/c24-17-9-6-16(20(25)12-17)13-29-19-10-7-15(8-11-19)23-27-21(14-30-23)22(28)26-18-4-2-1-3-5-18/h1-12,14H,13H2,(H,26,28)
InChIKeyFVERVSZRRYLKKA-UHFFFAOYSA-N
MW455.37 g/mol
LogP6.95
Rot. Bonds6

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

2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 42865866) has the molecular formula C23H16Cl2N2O2S and a molecular weight of 455.37 g/mol. Its IUPAC name is 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
PubChem CID42865866
Molecular FormulaC23H16Cl2N2O2S
Molecular Weight455.37 g/mol
Exact Mass454.03
IUPAC Name2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1csc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1
InChIInChI=1S/C23H16Cl2N2O2S/c24-17-9-6-16(20(25)12-17)13-29-19-10-7-15(8-11-19)23-27-21(14-30-23)22(28)26-18-4-2-1-3-5-18/h1-12,14H,13H2,(H,26,28)
InChIKeyFVERVSZRRYLKKA-UHFFFAOYSA-N
XLogP6.95
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.37
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2,5-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46164959
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46065953
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066640
2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 83287859
2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46065798
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 46065955
N-phenyl-2-(4-prop-2-enoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42865771
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46065939
2-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46065831
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065946
N-(3-methoxyphenyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 83285381
2-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46066287

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide (CID 42865866) is 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1)c1csc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1.
What is the InChIKey of 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is FVERVSZRRYLKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O2S/c24-17-9-6-16(20(25)12-17)13-29-19-10-7-15(8-11-19)23-27-21(14-30-23)22(28)26-18-4-2-1-3-5-18/h1-12,14H,13H2,(H,26,28).
What are the key properties of 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide?
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 455.37 g/mol, XLogP of 6.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42865866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).