2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile

C11H6F3N5S — CID 91662082

IUPAC2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)n1Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H6F3N5S/c1-6-17-7(2-15)8(3-16)19(6)4-10-18-9(5-20-10)11(12,13)14/h5H,4H2,1H3
InChIKeyUBEWMVRNTXDINR-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.46
Rot. Bonds2

About 2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile

2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile (PubChem CID 91662082) has the molecular formula C11H6F3N5S and a molecular weight of 297.27 g/mol. Its IUPAC name is 2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile
PubChem CID91662082
Molecular FormulaC11H6F3N5S
Molecular Weight297.27 g/mol
Exact Mass297.03
IUPAC Name2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)n1Cc1nc(C(F)(F)F)cs1
InChIInChI=1S/C11H6F3N5S/c1-6-17-7(2-15)8(3-16)19(6)4-10-18-9(5-20-10)11(12,13)14/h5H,4H2,1H3
InChIKeyUBEWMVRNTXDINR-UHFFFAOYSA-N
XLogP2.46
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile (CID 91662082) is 2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile is Cc1nc(C#N)c(C#N)n1Cc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile?
The InChIKey is UBEWMVRNTXDINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N5S/c1-6-17-7(2-15)8(3-16)19(6)4-10-18-9(5-20-10)11(12,13)14/h5H,4H2,1H3.
What are the key properties of 2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile?
2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile has a molecular weight of 297.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 91662082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).