1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile

C12H14N2S — CID 116865576

IUPAC1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2nc(C3CCC3)cs2)CCC1
InChIInChI=1S/C12H14N2S/c13-8-12(5-2-6-12)11-14-10(7-15-11)9-3-1-4-9/h7,9H,1-6H2
InChIKeyKALYBNFKBPFHQI-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.36
Rot. Bonds2

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

1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile (PubChem CID 116865576) has the molecular formula C12H14N2S and a molecular weight of 218.32 g/mol. Its IUPAC name is 1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile
PubChem CID116865576
Molecular FormulaC12H14N2S
Molecular Weight218.32 g/mol
Exact Mass218.09
IUPAC Name1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2nc(C3CCC3)cs2)CCC1
InChIInChI=1S/C12H14N2S/c13-8-12(5-2-6-12)11-14-10(7-15-11)9-3-1-4-9/h7,9H,1-6H2
InChIKeyKALYBNFKBPFHQI-UHFFFAOYSA-N
XLogP3.36
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopentyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile
CID 116865569
1-(4-cyclopentyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile
CID 116865298
2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile
CID 157249192
1-[4-(1H-pyrrol-3-yl)-1,3-thiazol-2-yl]cyclobutane-1-carbonitrile
CID 116865556
2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile
CID 116966310
1-(4-cyclopentyl-5-methyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile
CID 116865599
2,4-di(cyclobutyl)-1,3-thiazole
CID 130688661
1-[4-(4,4-difluorocyclohexyl)-1,3-thiazol-2-yl]cyclopentan-1-amine
CID 128922225
4-cyclopropyl-1,3-thiazole-2-carbonitrile
CID 71748573
2-(1-cyanocyclopropyl)-1,3-thiazole-4-carboxylic acid
CID 82838971
4-cyclobutyl-1,3-thiazole-2-carboxylic acid
CID 86646410
1-[4-(oxan-4-yl)-1,3-thiazol-2-yl]cyclobutane-1-carboxylic acid
CID 116967040

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile (CID 116865576) is 1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile is N#CC1(c2nc(C3CCC3)cs2)CCC1.
What is the InChIKey of 1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile?
The InChIKey is KALYBNFKBPFHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c13-8-12(5-2-6-12)11-14-10(7-15-11)9-3-1-4-9/h7,9H,1-6H2.
What are the key properties of 1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile?
1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile has a molecular weight of 218.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 116865576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).