4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid

C11H17N3O3S — CID 122088969

IUPAC4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
SMILESCCCc1cnc(NC(=O)NCCCC(=O)O)s1
InChIInChI=1S/C11H17N3O3S/c1-2-4-8-7-13-11(18-8)14-10(17)12-6-3-5-9(15)16/h7H,2-6H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyHRUYCHUIZPWZIC-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.08
Rot. Bonds7

About 4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid

4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid (PubChem CID 122088969) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
PubChem CID122088969
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
SMILESCCCc1cnc(NC(=O)NCCCC(=O)O)s1
InChIInChI=1S/C11H17N3O3S/c1-2-4-8-7-13-11(18-8)14-10(17)12-6-3-5-9(15)16/h7H,2-6H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyHRUYCHUIZPWZIC-UHFFFAOYSA-N
XLogP2.08
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.08
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

4-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoylamino]butanoic acid
CID 122074087
4-[2-(5-ethyl-1,3-thiazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 122004240
4-[[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]carbamoylamino]butanoic acid
CID 122074596
3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122091221
(E)-3-[2-(butylcarbamoylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 94230878
3-[[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122074678
3-[[5-[(4-bromo-3-methylphenyl)methyl]-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122093549
3-[[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122074623
3-[2-(2-methylhydrazinyl)-1,3-thiazol-5-yl]propanoic acid
CID 91426781
(5-ethyl-1,3-thiazol-2-yl)carbamic acid
CID 90989275
4-[(5-methoxypyrimidin-2-yl)carbamoylamino]butanoic acid
CID 122092499
4-[[4-(3-methoxy-3-oxopropyl)-1,3-thiazol-2-yl]carbamoylamino]butanoic acid
CID 122087221

Frequently Asked Questions

What is the IUPAC name of 4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid (CID 122088969) is 4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid is CCCc1cnc(NC(=O)NCCCC(=O)O)s1.
What is the InChIKey of 4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid?
The InChIKey is HRUYCHUIZPWZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-2-4-8-7-13-11(18-8)14-10(17)12-6-3-5-9(15)16/h7H,2-6H2,1H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid?
4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid has a molecular weight of 271.34 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-propyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 122088969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).