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

C19H19N3OS — CID 110649753

IUPACN-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C19H19N3OS/c1-13-5-3-6-14(2)19(13)22-17(23)8-9-18-21-16(12-24-18)15-7-4-10-20-11-15/h3-7,10-12H,8-9H2,1-2H3,(H,22,23)
InChIKeyCFNTYQZROFXVKA-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.39
Rot. Bonds5

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

N-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110649753) 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-3-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110649753
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCc1nc(-c2cccnc2)cs1
InChIInChI=1S/C19H19N3OS/c1-13-5-3-6-14(2)19(13)22-17(23)8-9-18-21-16(12-24-18)15-7-4-10-20-11-15/h3-7,10-12H,8-9H2,1-2H3,(H,22,23)
InChIKeyCFNTYQZROFXVKA-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-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649722
N-(3,5-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110408417
N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110650544
N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649752
3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoic acid
CID 82116416
N-butan-2-yl-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110406311
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110410518
N-(2-methoxyethyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110647547
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
ethyl 4-[3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 110648887
N-(pyridin-3-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648283

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (CID 110649753) is N-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is Cc1cccc(C)c1NC(=O)CCc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is CFNTYQZROFXVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-5-3-6-14(2)19(13)22-17(23)8-9-18-21-16(12-24-18)15-7-4-10-20-11-15/h3-7,10-12H,8-9H2,1-2H3,(H,22,23).
What are the key properties of N-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
N-(2,6-dimethylphenyl)-3-(4-pyridin-3-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-3-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110649753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).