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

C19H18N4O2S — CID 110650544

IUPACN-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCc2nc(-c3cccnc3)cs2)c1
InChIInChI=1S/C19H18N4O2S/c1-13(24)21-15-5-2-6-16(10-15)22-18(25)7-8-19-23-17(12-26-19)14-4-3-9-20-11-14/h2-6,9-12H,7-8H2,1H3,(H,21,24)(H,22,25)
InChIKeyRCUAFQWLMYXWRT-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.73
Rot. Bonds6

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

N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110650544) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110650544
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(=O)Nc1cccc(NC(=O)CCc2nc(-c3cccnc3)cs2)c1
InChIInChI=1S/C19H18N4O2S/c1-13(24)21-15-5-2-6-16(10-15)22-18(25)7-8-19-23-17(12-26-19)14-4-3-9-20-11-14/h2-6,9-12H,7-8H2,1H3,(H,21,24)(H,22,25)
InChIKeyRCUAFQWLMYXWRT-UHFFFAOYSA-N
XLogP3.73
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 110423823
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-(2,6-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649753
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-(2-methoxyethyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110647547
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N-(2,6-dimethylphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110649754
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110410518
N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248
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-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (CID 110650544) is N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is CC(=O)Nc1cccc(NC(=O)CCc2nc(-c3cccnc3)cs2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is RCUAFQWLMYXWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13(24)21-15-5-2-6-16(10-15)22-18(25)7-8-19-23-17(12-26-19)14-4-3-9-20-11-14/h2-6,9-12H,7-8H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 366.45 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110650544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).