2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide

C19H16ClFN2O2S — CID 46065918

IUPAC2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1
InChIInChI=1S/C19H16ClFN2O2S/c1-2-22-18(24)17-11-26-19(23-17)12-6-8-13(9-7-12)25-10-14-15(20)4-3-5-16(14)21/h3-9,11H,2,10H2,1H3,(H,22,24)
InChIKeySGMKOKDHVPHPPU-UHFFFAOYSA-N
MW390.87 g/mol
LogP4.93
Rot. Bonds6

About 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide

2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 46065918) has the molecular formula C19H16ClFN2O2S and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID46065918
Molecular FormulaC19H16ClFN2O2S
Molecular Weight390.87 g/mol
Exact Mass390.06
IUPAC Name2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1
InChIInChI=1S/C19H16ClFN2O2S/c1-2-22-18(24)17-11-26-19(23-17)12-6-8-13(9-7-12)25-10-14-15(20)4-3-5-16(14)21/h3-9,11H,2,10H2,1H3,(H,22,24)
InChIKeySGMKOKDHVPHPPU-UHFFFAOYSA-N
XLogP4.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(2-morpholin-4-ylethyl)-1,3-thiazole-4-carboxamide
CID 42865863
N-benzyl-2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065802
2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazole-4-carboxamide
CID 46065798
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20992347
2-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866122
2-[2-[(2,6-difluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide
CID 46067287
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
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-[4-[(3,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42865871
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46165555
2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 46065850

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide (CID 46065918) is 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1.
What is the InChIKey of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is SGMKOKDHVPHPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2S/c1-2-22-18(24)17-11-26-19(23-17)12-6-8-13(9-7-12)25-10-14-15(20)4-3-5-16(14)21/h3-9,11H,2,10H2,1H3,(H,22,24).
What are the key properties of 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide?
2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46065918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).