5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid

C18H23N3O3S — CID 122009852

IUPAC5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid
SMILESCC(CNC(=O)NC(CCC(=O)O)Cc1ccccc1)c1nccs1
InChIInChI=1S/C18H23N3O3S/c1-13(17-19-9-10-25-17)12-20-18(24)21-15(7-8-16(22)23)11-14-5-3-2-4-6-14/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeySEQLMOIEKURFAM-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.02
Rot. Bonds9

About 5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid

5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid (PubChem CID 122009852) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid
PubChem CID122009852
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid
SMILESCC(CNC(=O)NC(CCC(=O)O)Cc1ccccc1)c1nccs1
InChIInChI=1S/C18H23N3O3S/c1-13(17-19-9-10-25-17)12-20-18(24)21-15(7-8-16(22)23)11-14-5-3-2-4-6-14/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeySEQLMOIEKURFAM-UHFFFAOYSA-N
XLogP3.02
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic 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-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoylamino]-5-phenylpentanoic acid
CID 122007597
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1R)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 99697867
4-amino-5-oxo-5-[2-(1,3-thiazol-2-yl)propylamino]pentanoic acid
CID 114127534
4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000939
4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016072
4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478
1-[furan-2-yl(phenyl)methyl]-3-[2-(1,3-thiazol-2-yl)propyl]urea
CID 86790484
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000992
4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028274
4-[(2-methoxy-3,3-dimethylbutyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028284

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid (CID 122009852) is 5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid is CC(CNC(=O)NC(CCC(=O)O)Cc1ccccc1)c1nccs1.
What is the InChIKey of 5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid?
The InChIKey is SEQLMOIEKURFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-13(17-19-9-10-25-17)12-20-18(24)21-15(7-8-16(22)23)11-14-5-3-2-4-6-14/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,22,23)(H2,20,21,24).
What are the key properties of 5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid?
5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid has a molecular weight of 361.47 g/mol, XLogP of 3.02, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 122009852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).