2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

C16H16F3N7S — CID 155980603

IUPAC2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)n1
InChIInChI=1S/C16H16F3N7S/c17-16(18,19)11-7-27-15(23-11)25-5-3-24(4-6-25)13-12-14(21-8-20-13)26(9-22-12)10-1-2-10/h7-10H,1-6H2
InChIKeyJEWSNSTUFPSVMM-UHFFFAOYSA-N
MW395.41 g/mol
LogP2.96
Rot. Bonds3

About 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 155980603) has the molecular formula C16H16F3N7S and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID155980603
Molecular FormulaC16H16F3N7S
Molecular Weight395.41 g/mol
Exact Mass395.11
IUPAC Name2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)n1
InChIInChI=1S/C16H16F3N7S/c17-16(18,19)11-7-27-15(23-11)25-5-3-24(4-6-25)13-12-14(21-8-20-13)26(9-22-12)10-1-2-10/h7-10H,1-6H2
InChIKeyJEWSNSTUFPSVMM-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine
CID 154829192
6-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-9-cyclopropylpurine
CID 155980660
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 69066579
9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine
CID 172882518
5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 163344591
2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 166602194
4-[4-[9-[4-(hydroxymethyl)cyclohexyl]purin-6-yl]piperazin-1-yl]phenol
CID 167818272
9-cyclopropyl-6-(3-methylpiperidin-1-yl)purine
CID 163354022
6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 155980578
5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 155980616
9-cyclopropyl-6-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]purine
CID 163344644
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133396170

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 155980603) is 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)n1.
What is the InChIKey of 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is JEWSNSTUFPSVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7S/c17-16(18,19)11-7-27-15(23-11)25-5-3-24(4-6-25)13-12-14(21-8-20-13)26(9-22-12)10-1-2-10/h7-10H,1-6H2.
What are the key properties of 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 395.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 155980603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).