4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid

C19H25N3O3S — CID 122001041

IUPAC4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid
SMILESCCC(NC(=O)NC(CCC(=O)O)Cc1ccccc1)c1nc(C)cs1
InChIInChI=1S/C19H25N3O3S/c1-3-16(18-20-13(2)12-26-18)22-19(25)21-15(9-10-17(23)24)11-14-7-5-4-6-8-14/h4-8,12,15-16H,3,9-11H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyJBSUISMDGXGSQY-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.68
Rot. Bonds9

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

4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122001041) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122001041
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid
SMILESCCC(NC(=O)NC(CCC(=O)O)Cc1ccccc1)c1nc(C)cs1
InChIInChI=1S/C19H25N3O3S/c1-3-16(18-20-13(2)12-26-18)22-19(25)21-15(9-10-17(23)24)11-14-7-5-4-6-8-14/h4-8,12,15-16H,3,9-11H2,1-2H3,(H,23,24)(H2,21,22,25)
InChIKeyJBSUISMDGXGSQY-UHFFFAOYSA-N
XLogP3.68
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-hydroxypentan-3-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122027461
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-(1,1,1-trifluoropentan-3-ylcarbamoylamino)pentanoic acid
CID 122009996
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122000090
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
CID 61330730
5-phenyl-4-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]carbamoylamino]pentanoic acid
CID 122028015
3-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide
CID 110025280
4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000939
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122003736
1-[(6-methyl-3-pyridinyl)methyl]-3-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 95598162
4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016072

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid (CID 122001041) is 4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid is CCC(NC(=O)NC(CCC(=O)O)Cc1ccccc1)c1nc(C)cs1.
What is the InChIKey of 4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is JBSUISMDGXGSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-3-16(18-20-13(2)12-26-18)22-19(25)21-15(9-10-17(23)24)11-14-7-5-4-6-8-14/h4-8,12,15-16H,3,9-11H2,1-2H3,(H,23,24)(H2,21,22,25).
What are the key properties of 4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid?
4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid has a molecular weight of 375.49 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122001041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).