2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide

C22H21ClN2O3S — CID 92996325

IUPAC2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3ccccc3)cc2Cl)n1
InChIInChI=1S/C22H21ClN2O3S/c23-19-11-16(28-13-15-5-2-1-3-6-15)8-9-18(19)22-25-20(14-29-22)21(26)24-12-17-7-4-10-27-17/h1-3,5-6,8-9,11,14,17H,4,7,10,12-13H2,(H,24,26)/t17-/m1/s1
InChIKeyWECLCQVLJLXCDJ-QGZVFWFLSA-N
MW428.94 g/mol
LogP4.95
Rot. Bonds7

About 2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide

2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 92996325) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID92996325
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3ccccc3)cc2Cl)n1
InChIInChI=1S/C22H21ClN2O3S/c23-19-11-16(28-13-15-5-2-1-3-6-15)8-9-18(19)22-25-20(14-29-22)21(26)24-12-17-7-4-10-27-17/h1-3,5-6,8-9,11,14,17H,4,7,10,12-13H2,(H,24,26)/t17-/m1/s1
InChIKeyWECLCQVLJLXCDJ-QGZVFWFLSA-N
XLogP4.95
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46067076
2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 92996341
2-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865858
2-[3-[(3,4-dichlorophenyl)methoxy]phenyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 92996316
2-[2-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42866258
2-[3-[(4-fluorophenyl)methoxy]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 92996299
2-[2-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 46068117
2-[4-[(3,5-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46065976
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-[3-[(3,4-difluorophenyl)methoxy]phenyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066606
2-[(3-ethylphenoxy)methyl]-N-(oxolan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 24712618

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide (CID 92996325) is 2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NC[C@H]1CCCO1)c1csc(-c2ccc(OCc3ccccc3)cc2Cl)n1.
What is the InChIKey of 2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WECLCQVLJLXCDJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c23-19-11-16(28-13-15-5-2-1-3-6-15)8-9-18(19)22-25-20(14-29-22)21(26)24-12-17-7-4-10-27-17/h1-3,5-6,8-9,11,14,17H,4,7,10,12-13H2,(H,24,26)/t17-/m1/s1.
What are the key properties of 2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide?
2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 428.94 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 92996325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).