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

C11H14N2S — CID 116890763

IUPAC1-(2-tert-butyl-1,3-thiazol-4-yl)cyclopropane-1-carbonitrile
SMILESCC(C)(C)c1nc(C2(C#N)CC2)cs1
InChIInChI=1S/C11H14N2S/c1-10(2,3)9-13-8(6-14-9)11(7-12)4-5-11/h6H,4-5H2,1-3H3
InChIKeyLXDXQWZQIZHWFW-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.00
Rot. Bonds1

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

1-(2-tert-butyl-1,3-thiazol-4-yl)cyclopropane-1-carbonitrile (PubChem CID 116890763) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-thiazol-4-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-thiazol-4-yl)cyclopropane-1-carbonitrile
PubChem CID116890763
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC Name1-(2-tert-butyl-1,3-thiazol-4-yl)cyclopropane-1-carbonitrile
SMILESCC(C)(C)c1nc(C2(C#N)CC2)cs1
InChIInChI=1S/C11H14N2S/c1-10(2,3)9-13-8(6-14-9)11(7-12)4-5-11/h6H,4-5H2,1-3H3
InChIKeyLXDXQWZQIZHWFW-UHFFFAOYSA-N
XLogP3.00
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-tert-butyl-1,3-thiazol-4-yl)cyclopropane-1-carbonitrile 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 1-(2-tert-butyl-1,3-thiazol-4-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-tert-butyl-1,3-thiazol-4-yl)cyclopropane-1-carbonitrile (CID 116890763) is 1-(2-tert-butyl-1,3-thiazol-4-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-tert-butyl-1,3-thiazol-4-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-tert-butyl-1,3-thiazol-4-yl)cyclopropane-1-carbonitrile is CC(C)(C)c1nc(C2(C#N)CC2)cs1.
What is the InChIKey of 1-(2-tert-butyl-1,3-thiazol-4-yl)cyclopropane-1-carbonitrile?
The InChIKey is LXDXQWZQIZHWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-10(2,3)9-13-8(6-14-9)11(7-12)4-5-11/h6H,4-5H2,1-3H3.
What are the key properties of 1-(2-tert-butyl-1,3-thiazol-4-yl)cyclopropane-1-carbonitrile?
1-(2-tert-butyl-1,3-thiazol-4-yl)cyclopropane-1-carbonitrile has a molecular weight of 206.31 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,3-thiazol-4-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116890763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).