2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

C17H14FN3O2S — CID 42537938

IUPAC2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(F)c1-c1nc(C)c(C(=O)Nc2cccnc2)s1
InChIInChI=1S/C17H14FN3O2S/c1-10-15(16(22)21-11-5-4-8-19-9-11)24-17(20-10)14-12(18)6-3-7-13(14)23-2/h3-9H,1-2H3,(H,21,22)
InChIKeyWQRITVYZRNHCIO-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.91
Rot. Bonds4

About 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide

2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 42537938) has the molecular formula C17H14FN3O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID42537938
Molecular FormulaC17H14FN3O2S
Molecular Weight343.38 g/mol
Exact Mass343.08
IUPAC Name2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(F)c1-c1nc(C)c(C(=O)Nc2cccnc2)s1
InChIInChI=1S/C17H14FN3O2S/c1-10-15(16(22)21-11-5-4-8-19-9-11)24-17(20-10)14-12(18)6-3-7-13(14)23-2/h3-9H,1-2H3,(H,21,22)
InChIKeyWQRITVYZRNHCIO-UHFFFAOYSA-N
XLogP3.91
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(chlorodifluoromethoxy)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644841
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
CID 10094283
N-(4-phenoxyphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644856
3-[(5E)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-3-ylpropanamide
CID 2286451
2-(4-methoxyanilino)-4-phenyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 2307725
5-(4-Methoxyphenyl)-1-methyl-3-(4-methyl-1,3-thiazol-2-yl)-6-pyridin-3-ylpyridin-2-one
CID 11101191
CID 44449617
CID 44449617
N-(2-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 44449647
5-(2-Fluoro-6-methoxyphenyl)-3-methyl-1-((2-(4-methylthiazol-2-yl)pyridin-4-yl)methyl)pyrrolidin-2-one
CID 69084960
5-Thiazolecarboxamide, 2-(2-methoxyphenyl)-4-methyl-N-propyl-
CID 3068074
N-[(2-methoxyphenyl)methyl]-1-(3-pyrrol-1-ylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 16011308
N-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 44449548

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 42537938) is 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is COc1cccc(F)c1-c1nc(C)c(C(=O)Nc2cccnc2)s1.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WQRITVYZRNHCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2S/c1-10-15(16(22)21-11-5-4-8-19-9-11)24-17(20-10)14-12(18)6-3-7-13(14)23-2/h3-9H,1-2H3,(H,21,22).
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide?
2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42537938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).