4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole

C23H24F4N6S — CID 11627335

IUPAC4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
SMILESCC1CCCN1c1nc(-c2ccc(F)cc2)cc(N2CCN(c3ncsc3C(F)(F)F)CC2)n1
InChIInChI=1S/C23H24F4N6S/c1-15-3-2-8-33(15)22-29-18(16-4-6-17(24)7-5-16)13-19(30-22)31-9-11-32(12-10-31)21-20(23(25,26)27)34-14-28-21/h4-7,13-15H,2-3,8-12H2,1H3
InChIKeyNPAUEHGDXLCOJL-UHFFFAOYSA-N
MW492.55 g/mol
LogP5.07
Rot. Bonds4

About 4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole

4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 11627335) has the molecular formula C23H24F4N6S and a molecular weight of 492.55 g/mol. Its IUPAC name is 4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
PubChem CID11627335
Molecular FormulaC23H24F4N6S
Molecular Weight492.55 g/mol
Exact Mass492.17
IUPAC Name4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
SMILESCC1CCCN1c1nc(-c2ccc(F)cc2)cc(N2CCN(c3ncsc3C(F)(F)F)CC2)n1
InChIInChI=1S/C23H24F4N6S/c1-15-3-2-8-33(15)22-29-18(16-4-6-17(24)7-5-16)13-19(30-22)31-9-11-32(12-10-31)21-20(23(25,26)27)34-14-28-21/h4-7,13-15H,2-3,8-12H2,1H3
InChIKeyNPAUEHGDXLCOJL-UHFFFAOYSA-N
XLogP5.07
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.55
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole (CID 11627335) is 4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole is CC1CCCN1c1nc(-c2ccc(F)cc2)cc(N2CCN(c3ncsc3C(F)(F)F)CC2)n1.
What is the InChIKey of 4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is NPAUEHGDXLCOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N6S/c1-15-3-2-8-33(15)22-29-18(16-4-6-17(24)7-5-16)13-19(30-22)31-9-11-32(12-10-31)21-20(23(25,26)27)34-14-28-21/h4-7,13-15H,2-3,8-12H2,1H3.
What are the key properties of 4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole?
4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 492.55 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 11627335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).