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

C19H19N3OS — CID 110649722

IUPACN-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2nc(-c3cccnc3)cs2)cc1C
InChIInChI=1S/C19H19N3OS/c1-13-5-6-16(10-14(13)2)21-18(23)7-8-19-22-17(12-24-19)15-4-3-9-20-11-15/h3-6,9-12H,7-8H2,1-2H3,(H,21,23)
InChIKeySFTCKCPEGYEWKH-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.39
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110649722) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110649722
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2nc(-c3cccnc3)cs2)cc1C
InChIInChI=1S/C19H19N3OS/c1-13-5-6-16(10-14(13)2)21-18(23)7-8-19-22-17(12-24-19)15-4-3-9-20-11-15/h3-6,9-12H,7-8H2,1-2H3,(H,21,23)
InChIKeySFTCKCPEGYEWKH-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-(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-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649753
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-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701
N-(2,6-dimethylphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110649754
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-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 110423823
N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248
2-[4-(dimethylamino)phenyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]phenyl]acetamide
CID 58398653

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (CID 110649722) is N-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is Cc1ccc(NC(=O)CCc2nc(-c3cccnc3)cs2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is SFTCKCPEGYEWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-5-6-16(10-14(13)2)21-18(23)7-8-19-22-17(12-24-19)15-4-3-9-20-11-15/h3-6,9-12H,7-8H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
N-(3,4-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-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110649722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).