2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid

C12H12N4O3S — CID 114913049

IUPAC2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)Nc1cnns1
InChIInChI=1S/C12H12N4O3S/c17-11(18)9(8-4-2-1-3-5-8)6-13-12(19)15-10-7-14-16-20-10/h1-5,7,9H,6H2,(H,17,18)(H2,13,15,19)
InChIKeyFAPMJZZLSPMDPC-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.53
Rot. Bonds5

About 2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid

2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid (PubChem CID 114913049) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid
PubChem CID114913049
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)Nc1cnns1
InChIInChI=1S/C12H12N4O3S/c17-11(18)9(8-4-2-1-3-5-8)6-13-12(19)15-10-7-14-16-20-10/h1-5,7,9H,6H2,(H,17,18)(H2,13,15,19)
InChIKeyFAPMJZZLSPMDPC-UHFFFAOYSA-N
XLogP1.53
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic 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 2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid (CID 114913049) is 2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid is O=C(NCC(C(=O)O)c1ccccc1)Nc1cnns1.
What is the InChIKey of 2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid?
The InChIKey is FAPMJZZLSPMDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c17-11(18)9(8-4-2-1-3-5-8)6-13-12(19)15-10-7-14-16-20-10/h1-5,7,9H,6H2,(H,17,18)(H2,13,15,19).
What are the key properties of 2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid?
2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid has a molecular weight of 292.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(thiadiazol-5-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 114913049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).