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

C11H15NOS — CID 143011801

IUPAC(4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone
SMILESCC(C)(C)c1csc(C(=O)C2CC2)n1
InChIInChI=1S/C11H15NOS/c1-11(2,3)8-6-14-10(12-8)9(13)7-4-5-7/h6-7H,4-5H2,1-3H3
InChIKeyLPEREEILOIKLLT-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.03
Rot. Bonds2

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

(4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone (PubChem CID 143011801) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone
PubChem CID143011801
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone
SMILESCC(C)(C)c1csc(C(=O)C2CC2)n1
InChIInChI=1S/C11H15NOS/c1-11(2,3)8-6-14-10(12-8)9(13)7-4-5-7/h6-7H,4-5H2,1-3H3
InChIKeyLPEREEILOIKLLT-UHFFFAOYSA-N
XLogP3.03
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone 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 (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone?
The IUPAC name of (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone (CID 143011801) is (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone.
What is the SMILES notation for (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone?
The canonical SMILES for (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone is CC(C)(C)c1csc(C(=O)C2CC2)n1.
What is the InChIKey of (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone?
The InChIKey is LPEREEILOIKLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-11(2,3)8-6-14-10(12-8)9(13)7-4-5-7/h6-7H,4-5H2,1-3H3.
What are the key properties of (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone?
(4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone has a molecular weight of 209.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1,3-thiazol-2-yl)-cyclopropylmethanone is sourced from PubChem (CID 143011801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).