2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid

C13H15N3O4S — CID 66374675

IUPAC2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)NC(C)c1nc(C(=O)O)cs1)c1ccco1
InChIInChI=1S/C13H15N3O4S/c1-7(10-4-3-5-20-10)14-13(19)15-8(2)11-16-9(6-21-11)12(17)18/h3-8H,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyDAMJRHBVIXILHI-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.56
Rot. Bonds5

About 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 66374675) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID66374675
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(NC(=O)NC(C)c1nc(C(=O)O)cs1)c1ccco1
InChIInChI=1S/C13H15N3O4S/c1-7(10-4-3-5-20-10)14-13(19)15-8(2)11-16-9(6-21-11)12(17)18/h3-8H,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyDAMJRHBVIXILHI-UHFFFAOYSA-N
XLogP2.56
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-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-[1-(hexan-2-ylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372431
2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 106283231
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61199815
2-[1-(methylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 105442108
2-[1-[(3-chlorophenyl)carbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373900
2-[1-(prop-2-enylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373884
2-[1-(prop-2-enoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379617
2-[1-(cycloheptylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373521
2-[1-(1H-pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374402
2-[1-(1,3-thiazol-4-ylmethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375119
2-[1-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380008
2-[1-[[2-(2-chlorophenyl)acetyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66380785

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 66374675) is 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid is CC(NC(=O)NC(C)c1nc(C(=O)O)cs1)c1ccco1.
What is the InChIKey of 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DAMJRHBVIXILHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-7(10-4-3-5-20-10)14-13(19)15-8(2)11-16-9(6-21-11)12(17)18/h3-8H,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 309.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(furan-2-yl)ethylcarbamoylamino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 66374675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).