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

C8H10N2S — CID 43119799

IUPAC2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile
SMILESCC(C)c1csc(CC#N)n1
InChIInChI=1S/C8H10N2S/c1-6(2)7-5-11-8(10-7)3-4-9/h5-6H,3H2,1-2H3
InChIKeyOGKJUDCGLAXSJJ-UHFFFAOYSA-N
MW166.25 g/mol
LogP2.33
Rot. Bonds2

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

2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile (PubChem CID 43119799) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile
PubChem CID43119799
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile
SMILESCC(C)c1csc(CC#N)n1
InChIInChI=1S/C8H10N2S/c1-6(2)7-5-11-8(10-7)3-4-9/h5-6H,3H2,1-2H3
InChIKeyOGKJUDCGLAXSJJ-UHFFFAOYSA-N
XLogP2.33
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)-4-propan-2-yl-1,3-thiazole
CID 22063597
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
2-(fluoromethyl)-4-propan-2-yl-1,3-thiazole
CID 22949810
3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]oxetane-3-carbonitrile
CID 116969514
3-methyl-2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 116969697
[2-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 83967573
4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968635
2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazole
CID 113415629
2-(2-phenylethyl)-4-propan-2-yl-1,3-thiazole
CID 115618223
2-[2-(2-methylpropylsulfanylmethyl)-1,3-thiazol-4-yl]acetonitrile
CID 65137613
N'-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 82102841
2-ethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 115757174

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile?
The IUPAC name of 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile (CID 43119799) is 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile?
The canonical SMILES for 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile is CC(C)c1csc(CC#N)n1.
What is the InChIKey of 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile?
The InChIKey is OGKJUDCGLAXSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-6(2)7-5-11-8(10-7)3-4-9/h5-6H,3H2,1-2H3.
What are the key properties of 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile?
2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile has a molecular weight of 166.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yl-1,3-thiazol-2-yl)acetonitrile is sourced from PubChem (CID 43119799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).