2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile

C10H14N2S — CID 82433596

IUPAC2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile
SMILESCCc1nc(C(C)C)c(CC#N)s1
InChIInChI=1S/C10H14N2S/c1-4-9-12-10(7(2)3)8(13-9)5-6-11/h7H,4-5H2,1-3H3
InChIKeyDAGKUVHWTSSDAG-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.89
Rot. Bonds3

About 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile

2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile (PubChem CID 82433596) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile
PubChem CID82433596
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile
SMILESCCc1nc(C(C)C)c(CC#N)s1
InChIInChI=1S/C10H14N2S/c1-4-9-12-10(7(2)3)8(13-9)5-6-11/h7H,4-5H2,1-3H3
InChIKeyDAGKUVHWTSSDAG-UHFFFAOYSA-N
XLogP2.89
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile?
The IUPAC name of 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile (CID 82433596) is 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile is CCc1nc(C(C)C)c(CC#N)s1.
What is the InChIKey of 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile?
The InChIKey is DAGKUVHWTSSDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-4-9-12-10(7(2)3)8(13-9)5-6-11/h7H,4-5H2,1-3H3.
What are the key properties of 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile?
2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile has a molecular weight of 194.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)acetonitrile is sourced from PubChem (CID 82433596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).