N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C19H19N3OS — CID 110649752

IUPACN-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C19H19N3OS/c1-13-6-5-7-14(2)19(13)22-17(23)9-10-18-21-16(12-24-18)15-8-3-4-11-20-15/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)
InChIKeyGXFLIEYAVHHCKZ-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.39
Rot. Bonds5

About N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110649752) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110649752
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCc1nc(-c2ccccn2)cs1
InChIInChI=1S/C19H19N3OS/c1-13-6-5-7-14(2)19(13)22-17(23)9-10-18-21-16(12-24-18)15-8-3-4-11-20-15/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)
InChIKeyGXFLIEYAVHHCKZ-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-4-yl-1,3-thiazol-2-yl)propanamide
CID 110649754
N-(2,5-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649705
N-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649753
N-(2,6-dimethylphenyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110418418
N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649858
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648281
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-(2,6-dimethylphenyl)-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484535
2-hydroxy-2-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 111520424

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 110649752) is N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is Cc1cccc(C)c1NC(=O)CCc1nc(-c2ccccn2)cs1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is GXFLIEYAVHHCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-6-5-7-14(2)19(13)22-17(23)9-10-18-21-16(12-24-18)15-8-3-4-11-20-15/h3-8,11-12H,9-10H2,1-2H3,(H,22,23).
What are the key properties of N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
N-(2,6-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-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110649752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).