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

C18H23N3O3S — CID 122093742

IUPAC5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid
SMILESCC(C)c1scnc1NC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-12(2)16-17(19-11-25-16)21-18(24)20-14(8-9-15(22)23)10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyJEVVDISAZSTLRY-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.86
Rot. Bonds8

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

5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid (PubChem CID 122093742) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid
PubChem CID122093742
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid
SMILESCC(C)c1scnc1NC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-12(2)16-17(19-11-25-16)21-18(24)20-14(8-9-15(22)23)10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,22,23)(H2,20,21,24)
InChIKeyJEVVDISAZSTLRY-UHFFFAOYSA-N
XLogP3.86
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]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-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000939
4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027461
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122092507
5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid
CID 122009852
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
4-[[3-(2-methylpropanoylamino)phenyl]carbamoylamino]-5-phenylpentanoic acid
CID 122075451
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478
4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547288
4-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)carbamoylamino]-5-phenylpentanoic acid
CID 122091996
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
5-phenyl-4-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]carbamoylamino]pentanoic acid
CID 122028015

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid (CID 122093742) is 5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid is CC(C)c1scnc1NC(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid?
The InChIKey is JEVVDISAZSTLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-12(2)16-17(19-11-25-16)21-18(24)20-14(8-9-15(22)23)10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,22,23)(H2,20,21,24).
What are the key properties of 5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid?
5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid has a molecular weight of 361.47 g/mol, XLogP of 3.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[(5-propan-2-yl-1,3-thiazol-4-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 122093742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).