3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid

C11H13N3O4S — CID 166334401

IUPAC3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid
SMILESNC(=O)C1(NC(=O)c2cc(C(=O)O)sn2)CCCC1
InChIInChI=1S/C11H13N3O4S/c12-10(18)11(3-1-2-4-11)13-8(15)6-5-7(9(16)17)19-14-6/h5H,1-4H2,(H2,12,18)(H,13,15)(H,16,17)
InChIKeySLYVNBCCTIAUIK-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.37
Rot. Bonds4

About 3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid

3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid (PubChem CID 166334401) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid
PubChem CID166334401
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid
SMILESNC(=O)C1(NC(=O)c2cc(C(=O)O)sn2)CCCC1
InChIInChI=1S/C11H13N3O4S/c12-10(18)11(3-1-2-4-11)13-8(15)6-5-7(9(16)17)19-14-6/h5H,1-4H2,(H2,12,18)(H,13,15)(H,16,17)
InChIKeySLYVNBCCTIAUIK-UHFFFAOYSA-N
XLogP0.37
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-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

N-(1-carbamoylcyclopentyl)-4-methyl-1,2,5-thiadiazole-3-carboxamide
CID 138806778
2-[(1-carbamoylcyclohexyl)carbamoyl]pyridine-3-carboxylic acid
CID 13474728
5-(propan-2-ylcarbamoyl)-1,2-thiazole-3-carboxylic acid
CID 117218326
N-(1-carbamoylcyclohexyl)-2,5-dichlorobenzamide
CID 78903583
N-(1-carbamothioylcycloheptyl)thiadiazole-4-carboxamide
CID 65216316
N-(1-carbamothioylcyclooctyl)thiadiazole-4-carboxamide
CID 65216374
1-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81161359
N-(1-carbamothioylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 63024241
N-(1-carbamoylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78903339
N-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56756912
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28779309
1-[(4,5-dibromothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43239155

Frequently Asked Questions

What is the IUPAC name of 3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid (CID 166334401) is 3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid is NC(=O)C1(NC(=O)c2cc(C(=O)O)sn2)CCCC1.
What is the InChIKey of 3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid?
The InChIKey is SLYVNBCCTIAUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c12-10(18)11(3-1-2-4-11)13-8(15)6-5-7(9(16)17)19-14-6/h5H,1-4H2,(H2,12,18)(H,13,15)(H,16,17).
What are the key properties of 3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid?
3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid has a molecular weight of 283.31 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-carbamoylcyclopentyl)carbamoyl]-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 166334401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).