4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid

C19H25N3O3S — CID 122000090

IUPAC4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
SMILESCCc1nc(CCNC(=O)NC(CCC(=O)O)Cc2ccccc2)cs1
InChIInChI=1S/C19H25N3O3S/c1-2-17-21-16(13-26-17)10-11-20-19(25)22-15(8-9-18(23)24)12-14-6-4-3-5-7-14/h3-7,13,15H,2,8-12H2,1H3,(H,23,24)(H2,20,22,25)
InChIKeyFRVJYSZMQOGQLE-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.02
Rot. Bonds10

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

4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122000090) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122000090
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
SMILESCCc1nc(CCNC(=O)NC(CCC(=O)O)Cc2ccccc2)cs1
InChIInChI=1S/C19H25N3O3S/c1-2-17-21-16(13-26-17)10-11-20-19(25)22-15(8-9-18(23)24)12-14-6-4-3-5-7-14/h3-7,13,15H,2,8-12H2,1H3,(H,23,24)(H2,20,22,25)
InChIKeyFRVJYSZMQOGQLE-UHFFFAOYSA-N
XLogP3.02
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122001050
4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478
4-[2-(4-acetamidophenyl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122000813
4-(4-methylpent-3-enylcarbamoylamino)-5-phenylpentanoic acid
CID 122011533
4-(3-methylsulfanylpropylcarbamoylamino)-5-phenylpentanoic acid
CID 122002828
4-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoylamino]-5-phenylpentanoic acid
CID 122001041
5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid
CID 122009852
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-[(1R)-1-pyridin-4-ylethyl]urea
CID 95300643
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
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid (CID 122000090) is 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid is CCc1nc(CCNC(=O)NC(CCC(=O)O)Cc2ccccc2)cs1.
What is the InChIKey of 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is FRVJYSZMQOGQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-2-17-21-16(13-26-17)10-11-20-19(25)22-15(8-9-18(23)24)12-14-6-4-3-5-7-14/h3-7,13,15H,2,8-12H2,1H3,(H,23,24)(H2,20,22,25).
What are the key properties of 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid?
4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid has a molecular weight of 375.49 g/mol, XLogP of 3.02, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethyl-1,3-thiazol-4-yl)ethylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122000090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).