5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile

C11H8N2S — CID 608189

IUPAC5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile
SMILESCc1snc(-c2ccccc2)c1C#N
InChIInChI=1S/C11H8N2S/c1-8-10(7-12)11(13-14-8)9-5-3-2-4-6-9/h2-6H,1H3
InChIKeyYTFPCDXTBRASGJ-UHFFFAOYSA-N
MW200.27 g/mol
LogP2.99
Rot. Bonds1

About 5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile

5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile (PubChem CID 608189) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile
PubChem CID608189
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile
SMILESCc1snc(-c2ccccc2)c1C#N
InChIInChI=1S/C11H8N2S/c1-8-10(7-12)11(13-14-8)9-5-3-2-4-6-9/h2-6H,1H3
InChIKeyYTFPCDXTBRASGJ-UHFFFAOYSA-N
XLogP2.99
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile?
The IUPAC name of 5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile (CID 608189) is 5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile is Cc1snc(-c2ccccc2)c1C#N.
What is the InChIKey of 5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile?
The InChIKey is YTFPCDXTBRASGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-8-10(7-12)11(13-14-8)9-5-3-2-4-6-9/h2-6H,1H3.
What are the key properties of 5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile?
5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile has a molecular weight of 200.27 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 608189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).