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

C18H17N3O2S — CID 39084292

IUPACN-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1sc(-c2ccncc2)nc1C
InChIInChI=1S/C18H17N3O2S/c1-12-16(24-18(21-12)13-7-9-19-10-8-13)17(22)20-11-14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyOPNCDIFGGQDEIX-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.45
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 39084292) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID39084292
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1sc(-c2ccncc2)nc1C
InChIInChI=1S/C18H17N3O2S/c1-12-16(24-18(21-12)13-7-9-19-10-8-13)17(22)20-11-14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,20,22)
InChIKeyOPNCDIFGGQDEIX-UHFFFAOYSA-N
XLogP3.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366
N-[(2-methoxyphenyl)methyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676639
2-(4-fluorophenyl)-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 17399055
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 121137383
2-[3-[4-methoxy-3-[[[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]amino]methyl]phenyl]phenyl]acetic acid
CID 59219123
3-[(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 82032619
2-(4-fluorophenyl)-4-methyl-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 38556512
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944961
2-(3,4-dimethoxyphenyl)-N-[(2-methoxyquinolin-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 166214618
4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108592968
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 39084292) is N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is COc1ccccc1CNC(=O)c1sc(-c2ccncc2)nc1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is OPNCDIFGGQDEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-16(24-18(21-12)13-7-9-19-10-8-13)17(22)20-11-14-5-3-4-6-15(14)23-2/h3-10H,11H2,1-2H3,(H,20,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39084292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).