2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

C11H16N2O2S — CID 80570132

IUPAC2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(C)CC2CC2)sc1C(=O)O
InChIInChI=1S/C11H16N2O2S/c1-6(5-8-3-4-8)12-11-13-7(2)9(16-11)10(14)15/h6,8H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNBLBXXUYKWRGHO-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.75
Rot. Bonds5

About 2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 80570132) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID80570132
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(C)CC2CC2)sc1C(=O)O
InChIInChI=1S/C11H16N2O2S/c1-6(5-8-3-4-8)12-11-13-7(2)9(16-11)10(14)15/h6,8H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNBLBXXUYKWRGHO-UHFFFAOYSA-N
XLogP2.75
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-cyclopropylpropan-2-ylamino)-4-methyl-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-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 80570132) is 2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(NC(C)CC2CC2)sc1C(=O)O.
What is the InChIKey of 2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is NBLBXXUYKWRGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-6(5-8-3-4-8)12-11-13-7(2)9(16-11)10(14)15/h6,8H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylpropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80570132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).