2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid

C15H17N3O3S — CID 94970495

IUPAC2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCCC(CC)C(=O)Nc1nc(-c2ccccn2)c(C(=O)O)s1
InChIInChI=1S/C15H17N3O3S/c1-3-9(4-2)13(19)18-15-17-11(12(22-15)14(20)21)10-7-5-6-8-16-10/h5-9H,3-4H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyQSZUVAYLCAVRPD-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.28
Rot. Bonds6

About 2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid

2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 94970495) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID94970495
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCCC(CC)C(=O)Nc1nc(-c2ccccn2)c(C(=O)O)s1
InChIInChI=1S/C15H17N3O3S/c1-3-9(4-2)13(19)18-15-17-11(12(22-15)14(20)21)10-7-5-6-8-16-10/h5-9H,3-4H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyQSZUVAYLCAVRPD-UHFFFAOYSA-N
XLogP3.28
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dipyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227069
2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid
CID 94970351
2-[(2-fluorophenyl)methyl]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970777
2-(4-methylphenyl)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227040
2-[tert-butyl(pyrimidin-2-yl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 141362741
3-phenyl-1-[4-pyridin-2-yl-2-(pyrimidin-2-ylamino)-1,3-thiazol-5-yl]propan-1-one;hydrochloride
CID 161286249
ethane;ethyl 2-[(3-methyl-2-pyridinyl)amino]-4-pyridin-2-yl-1,3-thiazole-5-carboxylate
CID 144727498
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 82162108
2-(dimethylamino)-2-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 122134184
4-(2-methylpropyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 82227048
N-(5-amino-4-pyridin-2-yl-1,3-thiazol-2-yl)-4-methylthiophene-2-carboxamide
CID 145187781

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid (CID 94970495) is 2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid is CCC(CC)C(=O)Nc1nc(-c2ccccn2)c(C(=O)O)s1.
What is the InChIKey of 2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is QSZUVAYLCAVRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-3-9(4-2)13(19)18-15-17-11(12(22-15)14(20)21)10-7-5-6-8-16-10/h5-9H,3-4H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid?
2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 319.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).