N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide

C11H16N2OS — CID 857964

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2CC2)n1
InChIInChI=1S/C11H16N2OS/c1-11(2,3)8-6-15-10(12-8)13-9(14)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyWJQJIPWZVJDCEX-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.79
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide

N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide (PubChem CID 857964) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
PubChem CID857964
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
SMILESCC(C)(C)c1csc(NC(=O)C2CC2)n1
InChIInChI=1S/C11H16N2OS/c1-11(2,3)8-6-15-10(12-8)13-9(14)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyWJQJIPWZVJDCEX-UHFFFAOYSA-N
XLogP2.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide 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-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide (CID 857964) is N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide is CC(C)(C)c1csc(NC(=O)C2CC2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is WJQJIPWZVJDCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-11(2,3)8-6-15-10(12-8)13-9(14)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 224.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 857964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).