2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide

C18H14ClFN2O2S — CID 26723626

IUPAC2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C18H14ClFN2O2S/c1-10-3-6-16(24-2)13(7-10)15-9-25-18(21-15)22-17(23)12-5-4-11(20)8-14(12)19/h3-9H,1-2H3,(H,21,22,23)
InChIKeyKRHPQEYZDYQWER-UHFFFAOYSA-N
MW376.84 g/mol
LogP5.17
Rot. Bonds4

About 2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide

2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 26723626) has the molecular formula C18H14ClFN2O2S and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID26723626
Molecular FormulaC18H14ClFN2O2S
Molecular Weight376.84 g/mol
Exact Mass376.04
IUPAC Name2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C)cc1-c1csc(NC(=O)c2ccc(F)cc2Cl)n1
InChIInChI=1S/C18H14ClFN2O2S/c1-10-3-6-16(24-2)13(7-10)15-9-25-18(21-15)22-17(23)12-5-4-11(20)8-14(12)19/h3-9H,1-2H3,(H,21,22,23)
InChIKeyKRHPQEYZDYQWER-UHFFFAOYSA-N
XLogP5.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.84
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-nitrobenzamide
CID 55722787
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31116741
2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide
CID 2114849
methyl 4-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 26723703
2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 78878950
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-fluoro-2-iodobenzamide
CID 38928487
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,4,5-trimethoxybenzamide
CID 8838918
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 35889009
N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 17417503
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55722692
4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 55722825

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 26723626) is 2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(C)cc1-c1csc(NC(=O)c2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is KRHPQEYZDYQWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2S/c1-10-3-6-16(24-2)13(7-10)15-9-25-18(21-15)22-17(23)12-5-4-11(20)8-14(12)19/h3-9H,1-2H3,(H,21,22,23).
What are the key properties of 2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide?
2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 376.84 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 26723626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).