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

C18H16FN3O2S — CID 42537612

IUPAC2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(F)c1-c1nc(C)c(C(=O)NCc2ccccn2)s1
InChIInChI=1S/C18H16FN3O2S/c1-11-16(17(23)21-10-12-6-3-4-9-20-12)25-18(22-11)15-13(19)7-5-8-14(15)24-2/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyNGTSGFJQAKQWEH-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.59
Rot. Bonds5

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

2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 42537612) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID42537612
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(F)c1-c1nc(C)c(C(=O)NCc2ccccn2)s1
InChIInChI=1S/C18H16FN3O2S/c1-11-16(17(23)21-10-12-6-3-4-9-20-12)25-18(22-11)15-13(19)7-5-8-14(15)24-2/h3-9H,10H2,1-2H3,(H,21,23)
InChIKeyNGTSGFJQAKQWEH-UHFFFAOYSA-N
XLogP3.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 42534185
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-fluoro-6-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42568657
2-(2-fluoro-6-methoxyphenyl)-N-(2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 42535275
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366
2-(2-methoxyethylamino)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048761
N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 39084292
N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897958
2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 75435366
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200058
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 42537612) is 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide is COc1cccc(F)c1-c1nc(C)c(C(=O)NCc2ccccn2)s1.
What is the InChIKey of 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NGTSGFJQAKQWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-11-16(17(23)21-10-12-6-3-4-9-20-12)25-18(22-11)15-13(19)7-5-8-14(15)24-2/h3-9H,10H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide?
2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.59, 5 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-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42537612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).