2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile

C9H10N2S — CID 116966310

IUPAC2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile
SMILESN#CCc1nc(C2CCC2)cs1
InChIInChI=1S/C9H10N2S/c10-5-4-9-11-8(6-12-9)7-2-1-3-7/h6-7H,1-4H2
InChIKeyAVMYLJLKNPJYFB-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.48
Rot. Bonds2

About 2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile

2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile (PubChem CID 116966310) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile
PubChem CID116966310
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile
SMILESN#CCc1nc(C2CCC2)cs1
InChIInChI=1S/C9H10N2S/c10-5-4-9-11-8(6-12-9)7-2-1-3-7/h6-7H,1-4H2
InChIKeyAVMYLJLKNPJYFB-UHFFFAOYSA-N
XLogP2.48
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile
CID 157249192
2-(2-chloroethyl)-4-cyclobutyl-1,3-thiazole
CID 116965575
2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
CID 116970375
2-(3-chloropropyl)-4-cyclobutyl-1,3-thiazole
CID 116968630
4-cyclohexyl-2-propyl-1,3-thiazole
CID 130157916
2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol
CID 116969693
4-cyclobutyl-1,3-thiazole-2-carboxylic acid
CID 86646410
[1-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]cyclopropyl]methanamine
CID 116969391
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
4-cyclobutyl-1,3-thiazole-2-carboxamide
CID 116967982
4-(4-cyclohexyl-1,3-thiazol-2-yl)butan-1-ol
CID 116968668
4-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]butanenitrile
CID 116968995

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile?
The IUPAC name of 2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile (CID 116966310) is 2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile?
The canonical SMILES for 2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile is N#CCc1nc(C2CCC2)cs1.
What is the InChIKey of 2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile?
The InChIKey is AVMYLJLKNPJYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c10-5-4-9-11-8(6-12-9)7-2-1-3-7/h6-7H,1-4H2.
What are the key properties of 2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile?
2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile has a molecular weight of 178.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile is sourced from PubChem (CID 116966310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).