3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile

C14H13F3N6S — CID 171333834

IUPAC3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(Cc2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H13F3N6S/c15-14(16,17)11-9-24-12(21-11)8-22-3-5-23(6-4-22)13-10(7-18)19-1-2-20-13/h1-2,9H,3-6,8H2
InChIKeyIZRPAQJJYJINRZ-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.15
Rot. Bonds3

About 3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile

3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 171333834) has the molecular formula C14H13F3N6S and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID171333834
Molecular FormulaC14H13F3N6S
Molecular Weight354.36 g/mol
Exact Mass354.09
IUPAC Name3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCN(Cc2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C14H13F3N6S/c15-14(16,17)11-9-24-12(21-11)8-22-3-5-23(6-4-22)13-10(7-18)19-1-2-20-13/h1-2,9H,3-6,8H2
InChIKeyIZRPAQJJYJINRZ-UHFFFAOYSA-N
XLogP2.15
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile (CID 171333834) is 3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCN(Cc2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of 3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is IZRPAQJJYJINRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6S/c15-14(16,17)11-9-24-12(21-11)8-22-3-5-23(6-4-22)13-10(7-18)19-1-2-20-13/h1-2,9H,3-6,8H2.
What are the key properties of 3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 354.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 171333834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).