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

C20H21N3OS — CID 110389297

IUPAC4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1sc(CCc2ccccn2)nc1C
InChIInChI=1S/C20H21N3OS/c1-14-7-3-4-8-16(14)13-22-20(24)19-15(2)23-18(25-19)11-10-17-9-5-6-12-21-17/h3-9,12H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyOEHCHUMIJNAITA-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.87
Rot. Bonds6

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

4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110389297) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is 4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID110389297
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1CNC(=O)c1sc(CCc2ccccn2)nc1C
InChIInChI=1S/C20H21N3OS/c1-14-7-3-4-8-16(14)13-22-20(24)19-15(2)23-18(25-19)11-10-17-9-5-6-12-21-17/h3-9,12H,10-11,13H2,1-2H3,(H,22,24)
InChIKeyOEHCHUMIJNAITA-UHFFFAOYSA-N
XLogP3.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389314
4-methyl-N-(3-methylbutyl)-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389335
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389332
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389324
N,4-dimethyl-N-phenyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389345
4-methyl-N-(pyridin-2-ylmethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387086
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
4-methyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 75490366
6-methyl-N-[(2-methylphenyl)methyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109327463
4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200058
[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 110389286

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide (CID 110389297) is 4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide is Cc1ccccc1CNC(=O)c1sc(CCc2ccccn2)nc1C.
What is the InChIKey of 4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OEHCHUMIJNAITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14-7-3-4-8-16(14)13-22-20(24)19-15(2)23-18(25-19)11-10-17-9-5-6-12-21-17/h3-9,12H,10-11,13H2,1-2H3,(H,22,24).
What are the key properties of 4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110389297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).