2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

C16H16F3N7S — CID 163352921

IUPAC2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCn1cc(-c2cncc(N3CCN(c4nc(C(F)(F)F)cs4)CC3)n2)cn1
InChIInChI=1S/C16H16F3N7S/c1-24-9-11(6-21-24)12-7-20-8-14(22-12)25-2-4-26(5-3-25)15-23-13(10-27-15)16(17,18)19/h6-10H,2-5H2,1H3
InChIKeyYKTHDRKCZAHSSQ-UHFFFAOYSA-N
MW395.41 g/mol
LogP2.68
Rot. Bonds3

About 2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 163352921) has the molecular formula C16H16F3N7S and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID163352921
Molecular FormulaC16H16F3N7S
Molecular Weight395.41 g/mol
Exact Mass395.11
IUPAC Name2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESCn1cc(-c2cncc(N3CCN(c4nc(C(F)(F)F)cs4)CC3)n2)cn1
InChIInChI=1S/C16H16F3N7S/c1-24-9-11(6-21-24)12-7-20-8-14(22-12)25-2-4-26(5-3-25)15-23-13(10-27-15)16(17,18)19/h6-10H,2-5H2,1H3
InChIKeyYKTHDRKCZAHSSQ-UHFFFAOYSA-N
XLogP2.68
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 163352921) is 2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is Cn1cc(-c2cncc(N3CCN(c4nc(C(F)(F)F)cs4)CC3)n2)cn1.
What is the InChIKey of 2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is YKTHDRKCZAHSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7S/c1-24-9-11(6-21-24)12-7-20-8-14(22-12)25-2-4-26(5-3-25)15-23-13(10-27-15)16(17,18)19/h6-10H,2-5H2,1H3.
What are the key properties of 2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 395.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 163352921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).