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

C21H18Cl2N2O2S — CID 46068117

IUPAC2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CC1)c1csc(-c2ccc(OCc3ccccc3Cl)cc2Cl)n1
InChIInChI=1S/C21H18Cl2N2O2S/c22-17-4-2-1-3-14(17)11-27-15-7-8-16(18(23)9-15)21-25-19(12-28-21)20(26)24-10-13-5-6-13/h1-4,7-9,12-13H,5-6,10-11H2,(H,24,26)
InChIKeyZSUHMGBGHMYAMU-UHFFFAOYSA-N
MW433.36 g/mol
LogP5.84
Rot. Bonds7

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

2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46068117) has the molecular formula C21H18Cl2N2O2S and a molecular weight of 433.36 g/mol. Its IUPAC name is 2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID46068117
Molecular FormulaC21H18Cl2N2O2S
Molecular Weight433.36 g/mol
Exact Mass432.05
IUPAC Name2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CC1)c1csc(-c2ccc(OCc3ccccc3Cl)cc2Cl)n1
InChIInChI=1S/C21H18Cl2N2O2S/c22-17-4-2-1-3-14(17)11-27-15-7-8-16(18(23)9-15)21-25-19(12-28-21)20(26)24-10-13-5-6-13/h1-4,7-9,12-13H,5-6,10-11H2,(H,24,26)
InChIKeyZSUHMGBGHMYAMU-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

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Related Compounds

2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 92996325
2-[4-[(3-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 46067877
N-(cyclopropylmethyl)-2-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46068253
2-(2-chloro-4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066764
2-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 42865737
2-(2-chloro-4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 42866186
2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065796
2-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 42865822
2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066774
2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46066775
2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 92996316
2-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46067076

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide (CID 46068117) is 2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCC1CC1)c1csc(-c2ccc(OCc3ccccc3Cl)cc2Cl)n1.
What is the InChIKey of 2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZSUHMGBGHMYAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O2S/c22-17-4-2-1-3-14(17)11-27-15-7-8-16(18(23)9-15)21-25-19(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 2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide?
2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-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 2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46068117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).