N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C19H19N3OS — CID 110649705

IUPACN-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C19H19N3OS/c1-13-6-7-14(2)16(11-13)21-18(23)8-9-19-22-17(12-24-19)15-5-3-4-10-20-15/h3-7,10-12H,8-9H2,1-2H3,(H,21,23)
InChIKeyDTJSTNMLGYXZHZ-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.39
Rot. Bonds5

About N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110649705) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110649705
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(C)c(NC(=O)CCc2nc(-c3ccccn3)cs2)c1
InChIInChI=1S/C19H19N3OS/c1-13-6-7-14(2)16(11-13)21-18(23)8-9-19-22-17(12-24-19)15-5-3-4-10-20-15/h3-7,10-12H,8-9H2,1-2H3,(H,21,23)
InChIKeyDTJSTNMLGYXZHZ-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649752
N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649858
N-(2,5-dimethylphenyl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328984
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
[2-[2-(2,5-dimethylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetate
CID 55423443
N-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 110388753
2-(2,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660521
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648739
2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119882616
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
N-(2-methoxy-5-methylphenyl)-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 110422465

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 110649705) is N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is Cc1ccc(C)c(NC(=O)CCc2nc(-c3ccccn3)cs2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is DTJSTNMLGYXZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-6-7-14(2)16(11-13)21-18(23)8-9-19-22-17(12-24-19)15-5-3-4-10-20-15/h3-7,10-12H,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 337.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110649705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).