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

C15H24N2O3S — CID 94970351

IUPAC2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid
SMILESCCC(CC)C(=O)Nc1nc(C(CC)CC)c(C(=O)O)s1
InChIInChI=1S/C15H24N2O3S/c1-5-9(6-2)11-12(14(19)20)21-15(16-11)17-13(18)10(7-3)8-4/h9-10H,5-8H2,1-4H3,(H,19,20)(H,16,17,18)
InChIKeyJUZFSFMDBDEADK-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.12
Rot. Bonds8

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

2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 94970351) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid
PubChem CID94970351
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid
SMILESCCC(CC)C(=O)Nc1nc(C(CC)CC)c(C(=O)O)s1
InChIInChI=1S/C15H24N2O3S/c1-5-9(6-2)11-12(14(19)20)21-15(16-11)17-13(18)10(7-3)8-4/h9-10H,5-8H2,1-4H3,(H,19,20)(H,16,17,18)
InChIKeyJUZFSFMDBDEADK-UHFFFAOYSA-N
XLogP4.12
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethylbutanoylamino)-4-pentan-3-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-(3-carboxypropanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid
CID 94970360
2-(2-ethylbutanoylamino)-4-pyridin-2-yl-1,3-thiazole-5-carboxylic acid
CID 94970495
N-[5-(2-bromoacetyl)-4-methyl-1,3-thiazol-2-yl]-2-ethylbutanamide
CID 82162108
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide
CID 1080641
ethyl 5-amino-2-(2-ethylbutanoylamino)-1,3-thiazole-4-carboxylate
CID 82342560
2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226430
2-[(2-phenylacetyl)amino]-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226440
4-(methoxymethyl)-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226605
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-ethylbutanamide
CID 35569941
2-(phenylcarbamoylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 82226441
2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 112771343
2-ethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3357171

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid (CID 94970351) is 2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid is CCC(CC)C(=O)Nc1nc(C(CC)CC)c(C(=O)O)s1.
What is the InChIKey of 2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is JUZFSFMDBDEADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-5-9(6-2)11-12(14(19)20)21-15(16-11)17-13(18)10(7-3)8-4/h9-10H,5-8H2,1-4H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid?
2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 312.44 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbutanoylamino)-4-pentan-3-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 94970351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).