2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

C11H14N2O3S — CID 82226430

IUPAC2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(NC(=O)C2CC2)sc1C(=O)O
InChIInChI=1S/C11H14N2O3S/c1-5(2)7-8(10(15)16)17-11(12-7)13-9(14)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyDJENYZZKUBJFHR-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.31
Rot. Bonds4

About 2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid

2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 82226430) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
PubChem CID82226430
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)c1nc(NC(=O)C2CC2)sc1C(=O)O
InChIInChI=1S/C11H14N2O3S/c1-5(2)7-8(10(15)16)17-11(12-7)13-9(14)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyDJENYZZKUBJFHR-UHFFFAOYSA-N
XLogP2.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic 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 2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid (CID 82226430) is 2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is CC(C)c1nc(NC(=O)C2CC2)sc1C(=O)O.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is DJENYZZKUBJFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-5(2)7-8(10(15)16)17-11(12-7)13-9(14)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid?
2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).