4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

C13H17N3O3S — CID 79216638

IUPAC4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(C)c1csc(NC(=O)NC2C=CC(C(=O)O)C2)n1
InChIInChI=1S/C13H17N3O3S/c1-7(2)10-6-20-13(15-10)16-12(19)14-9-4-3-8(5-9)11(17)18/h3-4,6-9H,5H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyDAAHJHWQIJVRBN-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.42
Rot. Bonds4

About 4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid

4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216638) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
PubChem CID79216638
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
SMILESCC(C)c1csc(NC(=O)NC2C=CC(C(=O)O)C2)n1
InChIInChI=1S/C13H17N3O3S/c1-7(2)10-6-20-13(15-10)16-12(19)14-9-4-3-8(5-9)11(17)18/h3-4,6-9H,5H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyDAAHJHWQIJVRBN-UHFFFAOYSA-N
XLogP2.42
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-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

4-(1,3,4-thiadiazol-2-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216812
2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 61479820
4-(1-thiophen-3-ylethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216506
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
1-(4-propan-2-yl-1,3-thiazol-2-yl)-3-pyridin-2-ylurea
CID 110491780
1-benzyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)urea
CID 103616001
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 54958477
4-[1-(4-chlorophenyl)ethylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79193472
2-(cyclopentylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 54958579
1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)azetidine-3-carboxamide
CID 73439343
4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216361

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid (CID 79216638) is 4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is CC(C)c1csc(NC(=O)NC2C=CC(C(=O)O)C2)n1.
What is the InChIKey of 4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
The InChIKey is DAAHJHWQIJVRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-7(2)10-6-20-13(15-10)16-12(19)14-9-4-3-8(5-9)11(17)18/h3-4,6-9H,5H2,1-2H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid?
4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid has a molecular weight of 295.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).