2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid

C17H11ClFNO3S — CID 42865736

IUPAC2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2Cl)n1
InChIInChI=1S/C17H11ClFNO3S/c18-14-7-12(23-8-10-1-3-11(19)4-2-10)5-6-13(14)16-20-15(9-24-16)17(21)22/h1-7,9H,8H2,(H,21,22)
InChIKeyOCHQXFKESDXWRB-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.88
Rot. Bonds5

About 2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid

2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 42865736) has the molecular formula C17H11ClFNO3S and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID42865736
Molecular FormulaC17H11ClFNO3S
Molecular Weight363.80 g/mol
Exact Mass363.01
IUPAC Name2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2Cl)n1
InChIInChI=1S/C17H11ClFNO3S/c18-14-7-12(23-8-10-1-3-11(19)4-2-10)5-6-13(14)16-20-15(9-24-16)17(21)22/h1-7,9H,8H2,(H,21,22)
InChIKeyOCHQXFKESDXWRB-UHFFFAOYSA-N
XLogP4.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 42865737
[2-[2-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 46068126
2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 46066775
2-(2-chloro-4-phenylmethoxyphenyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066764
2-[4-[2-(4-fluorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22679862
2-[4-[(4-bromophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988562
2-[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066774
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20992347
2-(2-chloro-4-phenylmethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 92996325
N,N-diethyl-2-(2-fluoro-4-phenylmethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066895
2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20992073
2-[4-[(2,5-difluorophenyl)methoxy]-2-fluorophenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46067111

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid (CID 42865736) is 2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(-c2ccc(OCc3ccc(F)cc3)cc2Cl)n1.
What is the InChIKey of 2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is OCHQXFKESDXWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO3S/c18-14-7-12(23-8-10-1-3-11(19)4-2-10)5-6-13(14)16-20-15(9-24-16)17(21)22/h1-7,9H,8H2,(H,21,22).
What are the key properties of 2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid?
2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 363.80 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 42865736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).