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

C21H18Cl2N2O2S — CID 46068253

IUPACN-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CC1)c1csc(-c2ccccc2OCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C21H18Cl2N2O2S/c22-16-8-7-14(9-17(16)23)11-27-19-4-2-1-3-15(19)21-25-18(12-28-21)20(26)24-10-13-5-6-13/h1-4,7-9,12-13H,5-6,10-11H2,(H,24,26)
InChIKeyIDBYRGBMNUFZNM-UHFFFAOYSA-N
MW433.36 g/mol
LogP5.84
Rot. Bonds7

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

N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 46068253) has the molecular formula C21H18Cl2N2O2S and a molecular weight of 433.36 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID46068253
Molecular FormulaC21H18Cl2N2O2S
Molecular Weight433.36 g/mol
Exact Mass432.05
IUPAC NameN-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CC1)c1csc(-c2ccccc2OCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C21H18Cl2N2O2S/c22-16-8-7-14(9-17(16)23)11-27-19-4-2-1-3-15(19)21-25-18(12-28-21)20(26)24-10-13-5-6-13/h1-4,7-9,12-13H,5-6,10-11H2,(H,24,26)
InChIKeyIDBYRGBMNUFZNM-UHFFFAOYSA-N
XLogP5.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.36
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(3-chlorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42866356
2-[4-[(3-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 46067877
2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 46068117
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(3-chlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866355
2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 92996316
2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46067362
2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 92996325
N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46067162
2-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 42865886
2-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 46165101
N-cyclopropyl-2-[2-[(2-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866306
2-[2-[(2,6-difluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46067287

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide (CID 46068253) is N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide is O=C(NCC1CC1)c1csc(-c2ccccc2OCc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IDBYRGBMNUFZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O2S/c22-16-8-7-14(9-17(16)23)11-27-19-4-2-1-3-15(19)21-25-18(12-28-21)20(26)24-10-13-5-6-13/h1-4,7-9,12-13H,5-6,10-11H2,(H,24,26).
What are the key properties of N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 433.36 g/mol, XLogP of 5.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46068253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).