2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile

C11H9N3S — CID 63556167

IUPAC2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile
SMILESCc1cccc(-c2nc(CC#N)cs2)n1
InChIInChI=1S/C11H9N3S/c1-8-3-2-4-10(13-8)11-14-9(5-6-12)7-15-11/h2-4,7H,5H2,1H3
InChIKeyDTPWVLCNWJOMEA-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.58
Rot. Bonds2

About 2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile

2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile (PubChem CID 63556167) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile
PubChem CID63556167
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile
SMILESCc1cccc(-c2nc(CC#N)cs2)n1
InChIInChI=1S/C11H9N3S/c1-8-3-2-4-10(13-8)11-14-9(5-6-12)7-15-11/h2-4,7H,5H2,1H3
InChIKeyDTPWVLCNWJOMEA-UHFFFAOYSA-N
XLogP2.58
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile?
The IUPAC name of 2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile (CID 63556167) is 2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile.
What is the SMILES notation for 2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile?
The canonical SMILES for 2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile is Cc1cccc(-c2nc(CC#N)cs2)n1.
What is the InChIKey of 2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile?
The InChIKey is DTPWVLCNWJOMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c1-8-3-2-4-10(13-8)11-14-9(5-6-12)7-15-11/h2-4,7H,5H2,1H3.
What are the key properties of 2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile?
2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile has a molecular weight of 215.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methyl-2-pyridinyl)-1,3-thiazol-4-yl]acetonitrile is sourced from PubChem (CID 63556167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).