N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide

C19H19N3OS — CID 110328926

IUPACN-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1cccc(CNC(=O)Cc2sc(-c3ccccn3)nc2C)c1
InChIInChI=1S/C19H19N3OS/c1-13-6-5-7-15(10-13)12-21-18(23)11-17-14(2)22-19(24-17)16-8-3-4-9-20-16/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyGMTIGDGITOVJKP-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.68
Rot. Bonds5

About N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide

N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 110328926) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
PubChem CID110328926
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1cccc(CNC(=O)Cc2sc(-c3ccccn3)nc2C)c1
InChIInChI=1S/C19H19N3OS/c1-13-6-5-7-15(10-13)12-21-18(23)11-17-14(2)22-19(24-17)16-8-3-4-9-20-16/h3-10H,11-12H2,1-2H3,(H,21,23)
InChIKeyGMTIGDGITOVJKP-UHFFFAOYSA-N
XLogP3.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328924
N-butyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328903
N-(2,5-dimethylphenyl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328984
2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 110329692
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328955
N-(3-fluorophenyl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110329008
N-cyclopropyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328901
N-(3,4-dimethylphenyl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328985
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 110329647
N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55787475
N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468186

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide (CID 110328926) is N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide is Cc1cccc(CNC(=O)Cc2sc(-c3ccccn3)nc2C)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is GMTIGDGITOVJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-6-5-7-15(10-13)12-21-18(23)11-17-14(2)22-19(24-17)16-8-3-4-9-20-16/h3-10H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide?
N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 337.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 110328926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).