4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

C11H11N3OS — CID 70479920

IUPAC4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ccncc2)sc1C(N)=O
InChIInChI=1S/C11H11N3OS/c1-2-8-9(10(12)15)16-11(14-8)7-3-5-13-6-4-7/h3-6H,2H2,1H3,(H2,12,15)
InChIKeyRCXCEDCSAMHSQI-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.87
Rot. Bonds3

About 4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 70479920) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID70479920
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(-c2ccncc2)sc1C(N)=O
InChIInChI=1S/C11H11N3OS/c1-2-8-9(10(12)15)16-11(14-8)7-3-5-13-6-4-7/h3-6H,2H2,1H3,(H2,12,15)
InChIKeyRCXCEDCSAMHSQI-UHFFFAOYSA-N
XLogP1.87
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4-(3-pyridyl)thiazole
CID 600616
4-Methyl-2-Phenyl-1,3-Thiazole-5-Carboxamide
CID 737887
4-Amino-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10171950
3-[2-(Pyridin-3-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10236551
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10308461
1-(2-(Pyridin-2-yl)thiazol-5-yl)ethanone
CID 2768203
2-Pyridin-3-yl-1,3-thiazole-4-carboxamide, N-hydroxy-
CID 604917
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
2-(4-Pyridyl)-4-methylthiazole-5-carboxylic acid
CID 1483713
N-(4-tert-butylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 11617549
N-[4-(propan-2-yl)phenyl]-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644838
N-(3-methylphenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644843

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 70479920) is 4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is CCc1nc(-c2ccncc2)sc1C(N)=O.
What is the InChIKey of 4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is RCXCEDCSAMHSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-2-8-9(10(12)15)16-11(14-8)7-3-5-13-6-4-7/h3-6H,2H2,1H3,(H2,12,15).
What are the key properties of 4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 70479920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).