2-(2-formamido-1,3-thiazol-4-yl)butanoic acid

C8H10N2O3S — CID 57119960

IUPAC2-(2-formamido-1,3-thiazol-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1csc(NC=O)n1
InChIInChI=1S/C8H10N2O3S/c1-2-5(7(12)13)6-3-14-8(10-6)9-4-11/h3-5H,2H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyCSINRPUKDFGWAB-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.29
Rot. Bonds5

About 2-(2-formamido-1,3-thiazol-4-yl)butanoic acid

2-(2-formamido-1,3-thiazol-4-yl)butanoic acid (PubChem CID 57119960) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(2-formamido-1,3-thiazol-4-yl)butanoic acid.

Molecular Properties

Compound Name2-(2-formamido-1,3-thiazol-4-yl)butanoic acid
PubChem CID57119960
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-(2-formamido-1,3-thiazol-4-yl)butanoic acid
SMILESCCC(C(=O)O)c1csc(NC=O)n1
InChIInChI=1S/C8H10N2O3S/c1-2-5(7(12)13)6-3-14-8(10-6)9-4-11/h3-5H,2H2,1H3,(H,12,13)(H,9,10,11)
InChIKeyCSINRPUKDFGWAB-UHFFFAOYSA-N
XLogP1.29
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-formamido-1,3-thiazol-4-yl)butanoic acid?
The IUPAC name of 2-(2-formamido-1,3-thiazol-4-yl)butanoic acid (CID 57119960) is 2-(2-formamido-1,3-thiazol-4-yl)butanoic acid.
What is the SMILES notation for 2-(2-formamido-1,3-thiazol-4-yl)butanoic acid?
The canonical SMILES for 2-(2-formamido-1,3-thiazol-4-yl)butanoic acid is CCC(C(=O)O)c1csc(NC=O)n1.
What is the InChIKey of 2-(2-formamido-1,3-thiazol-4-yl)butanoic acid?
The InChIKey is CSINRPUKDFGWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-2-5(7(12)13)6-3-14-8(10-6)9-4-11/h3-5H,2H2,1H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-(2-formamido-1,3-thiazol-4-yl)butanoic acid?
2-(2-formamido-1,3-thiazol-4-yl)butanoic acid has a molecular weight of 214.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formamido-1,3-thiazol-4-yl)butanoic acid is sourced from PubChem (CID 57119960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).