1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid

C13H19N3O3S — CID 61475807

IUPAC1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCc1nc(NC(=O)NC2(C(=O)O)CCCC2)sc1C
InChIInChI=1S/C13H19N3O3S/c1-3-9-8(2)20-12(14-9)15-11(19)16-13(10(17)18)6-4-5-7-13/h3-7H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyYYQORBSKVZXPDZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.53
Rot. Bonds4

About 1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid

1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 61475807) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID61475807
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCCc1nc(NC(=O)NC2(C(=O)O)CCCC2)sc1C
InChIInChI=1S/C13H19N3O3S/c1-3-9-8(2)20-12(14-9)15-11(19)16-13(10(17)18)6-4-5-7-13/h3-7H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyYYQORBSKVZXPDZ-UHFFFAOYSA-N
XLogP2.53
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 61475807) is 1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid is CCc1nc(NC(=O)NC2(C(=O)O)CCCC2)sc1C.
What is the InChIKey of 1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is YYQORBSKVZXPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-9-8(2)20-12(14-9)15-11(19)16-13(10(17)18)6-4-5-7-13/h3-7H2,1-2H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61475807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).