(4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

C15H16F3N5OS — CID 70759340

IUPAC(4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)nc(N2CCN(C(=O)c3scnc3C)CC2)n1
InChIInChI=1S/C15H16F3N5OS/c1-9-7-11(15(16,17)18)21-14(20-9)23-5-3-22(4-6-23)13(24)12-10(2)19-8-25-12/h7-8H,3-6H2,1-2H3
InChIKeyJJLPRELDJJHSRF-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.53
Rot. Bonds2

About (4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (PubChem CID 70759340) has the molecular formula C15H16F3N5OS and a molecular weight of 371.39 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
PubChem CID70759340
Molecular FormulaC15H16F3N5OS
Molecular Weight371.39 g/mol
Exact Mass371.10
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)nc(N2CCN(C(=O)c3scnc3C)CC2)n1
InChIInChI=1S/C15H16F3N5OS/c1-9-7-11(15(16,17)18)21-14(20-9)23-5-3-22(4-6-23)13(24)12-10(2)19-8-25-12/h7-8H,3-6H2,1-2H3
InChIKeyJJLPRELDJJHSRF-UHFFFAOYSA-N
XLogP2.53
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone (CID 70759340) is (4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is Cc1cc(C(F)(F)F)nc(N2CCN(C(=O)c3scnc3C)CC2)n1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
The InChIKey is JJLPRELDJJHSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5OS/c1-9-7-11(15(16,17)18)21-14(20-9)23-5-3-22(4-6-23)13(24)12-10(2)19-8-25-12/h7-8H,3-6H2,1-2H3.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone has a molecular weight of 371.39 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 70759340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).