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

C25H21ClN2O2S — CID 42865825

IUPACN-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1csc(-c2ccc(OCc3ccccc3Cl)cc2)n1
InChIInChI=1S/C25H21ClN2O2S/c1-28(15-18-7-3-2-4-8-18)25(29)23-17-31-24(27-23)19-11-13-21(14-12-19)30-16-20-9-5-6-10-22(20)26/h2-14,17H,15-16H2,1H3
InChIKeyIDAYNLYRWOGJKG-UHFFFAOYSA-N
MW448.98 g/mol
LogP6.31
Rot. Bonds7

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

N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 42865825) has the molecular formula C25H21ClN2O2S and a molecular weight of 448.98 g/mol. Its IUPAC name is N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID42865825
Molecular FormulaC25H21ClN2O2S
Molecular Weight448.98 g/mol
Exact Mass448.10
IUPAC NameN-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1csc(-c2ccc(OCc3ccccc3Cl)cc2)n1
InChIInChI=1S/C25H21ClN2O2S/c1-28(15-18-7-3-2-4-8-18)25(29)23-17-31-24(27-23)19-11-13-21(14-12-19)30-16-20-9-5-6-10-22(20)26/h2-14,17H,15-16H2,1H3
InChIKeyIDAYNLYRWOGJKG-UHFFFAOYSA-N
XLogP6.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.98
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 42865769
2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 42865822
2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-ethyl-N-methyl-1,3-thiazole-4-carboxamide
CID 46065907
N-benzyl-2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46066950
N-benzyl-N-methyl-2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46067249
2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065796
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20992347
2-(4-chlorophenyl)-N-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 18114414
N-benzyl-2-[4-[(2,5-difluorophenyl)methoxy]-3-methoxyphenyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 46165090
N-[(2-chlorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 46586397
2-(4-methoxyphenyl)-N-methyl-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 55710289
N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 17496872

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 42865825) is N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide is CN(Cc1ccccc1)C(=O)c1csc(-c2ccc(OCc3ccccc3Cl)cc2)n1.
What is the InChIKey of N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is IDAYNLYRWOGJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O2S/c1-28(15-18-7-3-2-4-8-18)25(29)23-17-31-24(27-23)19-11-13-21(14-12-19)30-16-20-9-5-6-10-22(20)26/h2-14,17H,15-16H2,1H3.
What are the key properties of N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide?
N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 448.98 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42865825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).