6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile

C10H7N3OS — CID 15594634

IUPAC6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1cncs1
InChIInChI=1S/C10H7N3OS/c1-6-8(9-4-12-5-15-9)2-7(3-11)10(14)13-6/h2,4-5H,1H3,(H,13,14)
InChIKeyMCSQTSJMVMSEFA-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.68
Rot. Bonds1

About 6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile

6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile (PubChem CID 15594634) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile
PubChem CID15594634
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1-c1cncs1
InChIInChI=1S/C10H7N3OS/c1-6-8(9-4-12-5-15-9)2-7(3-11)10(14)13-6/h2,4-5H,1H3,(H,13,14)
InChIKeyMCSQTSJMVMSEFA-UHFFFAOYSA-N
XLogP1.68
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile (CID 15594634) is 6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1-c1cncs1.
What is the InChIKey of 6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile?
The InChIKey is MCSQTSJMVMSEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c1-6-8(9-4-12-5-15-9)2-7(3-11)10(14)13-6/h2,4-5H,1H3,(H,13,14).
What are the key properties of 6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile?
6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile has a molecular weight of 217.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-5-(1,3-thiazol-5-yl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 15594634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).