3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid

C11H12N2O3S — CID 54971280

IUPAC3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid
SMILESCC1CC1C(=O)Nc1ncc(C=CC(=O)O)s1
InChIInChI=1S/C11H12N2O3S/c1-6-4-8(6)10(16)13-11-12-5-7(17-11)2-3-9(14)15/h2-3,5-6,8H,4H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyHWTWRTKXQVHBLJ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.84
Rot. Bonds4

About 3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid

3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid (PubChem CID 54971280) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid
PubChem CID54971280
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid
SMILESCC1CC1C(=O)Nc1ncc(C=CC(=O)O)s1
InChIInChI=1S/C11H12N2O3S/c1-6-4-8(6)10(16)13-11-12-5-7(17-11)2-3-9(14)15/h2-3,5-6,8H,4H2,1H3,(H,14,15)(H,12,13,16)
InChIKeyHWTWRTKXQVHBLJ-UHFFFAOYSA-N
XLogP1.84
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid?
The IUPAC name of 3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid (CID 54971280) is 3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid?
The canonical SMILES for 3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid is CC1CC1C(=O)Nc1ncc(C=CC(=O)O)s1.
What is the InChIKey of 3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid?
The InChIKey is HWTWRTKXQVHBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-6-4-8(6)10(16)13-11-12-5-7(17-11)2-3-9(14)15/h2-3,5-6,8H,4H2,1H3,(H,14,15)(H,12,13,16).
What are the key properties of 3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid?
3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid has a molecular weight of 252.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylcyclopropanecarbonyl)amino]-1,3-thiazol-5-yl]prop-2-enoic acid is sourced from PubChem (CID 54971280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).