2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile

C6H3F3N2S — CID 1486082

IUPAC2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
SMILESCc1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C6H3F3N2S/c1-3-11-5(6(7,8)9)4(2-10)12-3/h1H3
InChIKeyXBSQGMAPYOYHJP-UHFFFAOYSA-N
MW192.16 g/mol
LogP2.34
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile

2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile (PubChem CID 1486082) has the molecular formula C6H3F3N2S and a molecular weight of 192.16 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
PubChem CID1486082
Molecular FormulaC6H3F3N2S
Molecular Weight192.16 g/mol
Exact Mass192.00
IUPAC Name2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
SMILESCc1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C6H3F3N2S/c1-3-11-5(6(7,8)9)4(2-10)12-3/h1H3
InChIKeyXBSQGMAPYOYHJP-UHFFFAOYSA-N
XLogP2.34
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile (CID 1486082) is 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile is Cc1nc(C(F)(F)F)c(C#N)s1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is XBSQGMAPYOYHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2S/c1-3-11-5(6(7,8)9)4(2-10)12-3/h1H3.
What are the key properties of 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile?
2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 192.16 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 1486082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).