OZTXIZPIOWLUFK-OAHLLOKOSA-N

Name: OZTXIZPIOWLUFK-OAHLLOKOSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₄H₃₁F₃N₁₀OS — CID 90479959

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(2R)-2-methyl-4-[4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone

SMILESCc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(N4CCN(C)CC4)nc3)C[C@H]2C)n1

InChIInChI=1S/C24H31F3N10OS/c1-15-13-35(9-10-36(15)19(38)14-37-17(3)30-16(2)32-37)21-20(31-22(39-21)24(25,26)27)18-11-28-23(29-12-18)34-7-5-33(4)6-8-34/h11-12,15H,5-10,13-14H2,1-4H3/t15-/m1/s1

InChIKeyOZTXIZPIOWLUFK-OAHLLOKOSA-N

MW564.64 g/mol

LogP2.32

Rot. Bonds5

About OZTXIZPIOWLUFK-OAHLLOKOSA-N

OZTXIZPIOWLUFK-OAHLLOKOSA-N (PubChem CID 90479959) has the molecular formula C₂₄H₃₁F₃N₁₀OS and a molecular weight of 564.64 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(2R)-2-methyl-4-[4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name	OZTXIZPIOWLUFK-OAHLLOKOSA-N
PubChem CID	90479959
Molecular Formula	C₂₄H₃₁F₃N₁₀OS
Molecular Weight	564.64 g/mol
Exact Mass	564.24
IUPAC Name	2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(2R)-2-methyl-4-[4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone
SMILES	Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(N4CCN(C)CC4)nc3)C[C@H]2C)n1
InChI	InChI=1S/C24H31F3N10OS/c1-15-13-35(9-10-36(15)19(38)14-37-17(3)30-16(2)32-37)21-20(31-22(39-21)24(25,26)27)18-11-28-23(29-12-18)34-7-5-33(4)6-8-34/h11-12,15H,5-10,13-14H2,1-4H3/t15-/m1/s1
InChIKey	OZTXIZPIOWLUFK-OAHLLOKOSA-N
XLogP	2.32
TPSA	99.41 Å²
H-Bond Donors
H-Bond Acceptors	11
Rotatable Bonds	5
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.64
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of OZTXIZPIOWLUFK-OAHLLOKOSA-N?

The IUPAC name of OZTXIZPIOWLUFK-OAHLLOKOSA-N (CID 90479959) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(2R)-2-methyl-4-[4-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(trifluoromethyl)-1,3-thiazol-5-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for OZTXIZPIOWLUFK-OAHLLOKOSA-N?

The canonical SMILES for OZTXIZPIOWLUFK-OAHLLOKOSA-N is Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3cnc(N4CCN(C)CC4)nc3)C[C@H]2C)n1.

What is the InChIKey of OZTXIZPIOWLUFK-OAHLLOKOSA-N?

The InChIKey is OZTXIZPIOWLUFK-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H31F3N10OS/c1-15-13-35(9-10-36(15)19(38)14-37-17(3)30-16(2)32-37)21-20(31-22(39-21)24(25,26)27)18-11-28-23(29-12-18)34-7-5-33(4)6-8-34/h11-12,15H,5-10,13-14H2,1-4H3/t15-/m1/s1.

What are the key properties of OZTXIZPIOWLUFK-OAHLLOKOSA-N?

OZTXIZPIOWLUFK-OAHLLOKOSA-N has a molecular weight of 564.64 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for OZTXIZPIOWLUFK-OAHLLOKOSA-N is sourced from PubChem (CID 90479959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 90479959 — identifiers, structure, computed properties (public domain)

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