2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile

C8H10N2S2 — CID 43242781

IUPAC2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile
SMILESCc1csc(SCC(C)C#N)n1
InChIInChI=1S/C8H10N2S2/c1-6(3-9)4-11-8-10-7(2)5-12-8/h5-6H,4H2,1-2H3
InChIKeyJHJWXLFVYFIQLO-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.70
Rot. Bonds3

About 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile

2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile (PubChem CID 43242781) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile
PubChem CID43242781
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC Name2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile
SMILESCc1csc(SCC(C)C#N)n1
InChIInChI=1S/C8H10N2S2/c1-6(3-9)4-11-8-10-7(2)5-12-8/h5-6H,4H2,1-2H3
InChIKeyJHJWXLFVYFIQLO-UHFFFAOYSA-N
XLogP2.70
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile?
The IUPAC name of 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile (CID 43242781) is 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile.
What is the SMILES notation for 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile?
The canonical SMILES for 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile is Cc1csc(SCC(C)C#N)n1.
What is the InChIKey of 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile?
The InChIKey is JHJWXLFVYFIQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2/c1-6(3-9)4-11-8-10-7(2)5-12-8/h5-6H,4H2,1-2H3.
What are the key properties of 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile?
2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile has a molecular weight of 198.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanenitrile is sourced from PubChem (CID 43242781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).