2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid

C10H15N3O3S — CID 104686066

IUPAC2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid
SMILESCC(CCCNC(=O)Nc1nccs1)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-7(8(14)15)3-2-4-11-9(16)13-10-12-5-6-17-10/h5-7H,2-4H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyZTBUOBTZPVWRRT-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.77
Rot. Bonds6

About 2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid

2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid (PubChem CID 104686066) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid
PubChem CID104686066
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid
SMILESCC(CCCNC(=O)Nc1nccs1)C(=O)O
InChIInChI=1S/C10H15N3O3S/c1-7(8(14)15)3-2-4-11-9(16)13-10-12-5-6-17-10/h5-7H,2-4H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyZTBUOBTZPVWRRT-UHFFFAOYSA-N
XLogP1.77
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 47148360
5-[(3-ethylthiophen-2-yl)methylcarbamoylamino]-2-methylpentanoic acid
CID 104686823
2-methyl-5-(phenylcarbamoylamino)pentanoic acid
CID 113440698
2-methyl-4-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 80540120
2-methyl-5-(pyridin-4-ylmethylcarbamoylamino)pentanoic acid
CID 104686194
2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid
CID 104686854
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
2,2-dimethyl-3-(1,3-thiazol-2-ylcarbamoylamino)propanoic acid
CID 115428250
1-(1-hydroxypropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 47193219
2-methyl-5-(1-thiophen-2-ylethylcarbamoylamino)pentanoic acid
CID 104686244
1-(1-aminopropan-2-yl)-3-(1,3-thiazol-2-yl)urea
CID 82506108
1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea
CID 108883461

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid?
The IUPAC name of 2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid (CID 104686066) is 2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for 2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid is CC(CCCNC(=O)Nc1nccs1)C(=O)O.
What is the InChIKey of 2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid?
The InChIKey is ZTBUOBTZPVWRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-7(8(14)15)3-2-4-11-9(16)13-10-12-5-6-17-10/h5-7H,2-4H2,1H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid?
2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,3-thiazol-2-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 104686066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).