2-methyl-1,3-thiazole-5-carbonitrile

C5H4N2S — CID 53407634

IUPAC2-methyl-1,3-thiazole-5-carbonitrile
SMILESCc1ncc(C#N)s1
InChIInChI=1S/C5H4N2S/c1-4-7-3-5(2-6)8-4/h3H,1H3
InChIKeyYQLHOMLLEOCIOH-UHFFFAOYSA-N
MW124.17 g/mol
LogP1.32
Rot. Bonds

About 2-methyl-1,3-thiazole-5-carbonitrile

2-methyl-1,3-thiazole-5-carbonitrile (PubChem CID 53407634) has the molecular formula C5H4N2S and a molecular weight of 124.17 g/mol. Its IUPAC name is 2-methyl-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-1,3-thiazole-5-carbonitrile
PubChem CID53407634
Molecular FormulaC5H4N2S
Molecular Weight124.17 g/mol
Exact Mass124.01
IUPAC Name2-methyl-1,3-thiazole-5-carbonitrile
SMILESCc1ncc(C#N)s1
InChIInChI=1S/C5H4N2S/c1-4-7-3-5(2-6)8-4/h3H,1H3
InChIKeyYQLHOMLLEOCIOH-UHFFFAOYSA-N
XLogP1.32
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.17
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-methyl-1,3-thiazole-5-carbonitrile (CID 53407634) is 2-methyl-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-methyl-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-methyl-1,3-thiazole-5-carbonitrile is Cc1ncc(C#N)s1.
What is the InChIKey of 2-methyl-1,3-thiazole-5-carbonitrile?
The InChIKey is YQLHOMLLEOCIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S/c1-4-7-3-5(2-6)8-4/h3H,1H3.
What are the key properties of 2-methyl-1,3-thiazole-5-carbonitrile?
2-methyl-1,3-thiazole-5-carbonitrile has a molecular weight of 124.17 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 53407634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).