N-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid

C13H24N2O2S — CID 70632948

IUPACN-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)NC(C)C.CCCc1ncc(C(=O)O)s1
InChIInChI=1S/C7H9NO2S.C6H15N/c1-2-3-6-8-4-5(11-6)7(9)10;1-5(2)7-6(3)4/h4H,2-3H2,1H3,(H,9,10);5-7H,1-4H3
InChIKeyZATYOYMGWXAYEQ-UHFFFAOYSA-N
MW272.41 g/mol
LogP3.19
Rot. Bonds5

About N-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid

N-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 70632948) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound NameN-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID70632948
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid
SMILESCC(C)NC(C)C.CCCc1ncc(C(=O)O)s1
InChIInChI=1S/C7H9NO2S.C6H15N/c1-2-3-6-8-4-5(11-6)7(9)10;1-5(2)7-6(3)4/h4H,2-3H2,1H3,(H,9,10);5-7H,1-4H3
InChIKeyZATYOYMGWXAYEQ-UHFFFAOYSA-N
XLogP3.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-propan-2-ylpropan-2-amine;2-propyl-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 N-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of N-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid (CID 70632948) is N-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for N-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for N-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid is CC(C)NC(C)C.CCCc1ncc(C(=O)O)s1.
What is the InChIKey of N-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZATYOYMGWXAYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.C6H15N/c1-2-3-6-8-4-5(11-6)7(9)10;1-5(2)7-6(3)4/h4H,2-3H2,1H3,(H,9,10);5-7H,1-4H3.
What are the key properties of N-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid?
N-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 272.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpropan-2-amine;2-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 70632948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).