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

C16H18F3N5OS — CID 121180557

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3sc(C)nc3C)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5OS/c1-9-14(26-11(3)20-9)15(25)24-6-4-23(5-7-24)13-8-12(16(17,18)19)21-10(2)22-13/h8H,4-7H2,1-3H3
InChIKeyKLQUISRCBKPFDP-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.84
Rot. Bonds2

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

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 121180557) has the molecular formula C16H18F3N5OS and a molecular weight of 385.42 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID121180557
Molecular FormulaC16H18F3N5OS
Molecular Weight385.42 g/mol
Exact Mass385.12
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(N2CCN(C(=O)c3sc(C)nc3C)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5OS/c1-9-14(26-11(3)20-9)15(25)24-6-4-23(5-7-24)13-8-12(16(17,18)19)21-10(2)22-13/h8H,4-7H2,1-3H3
InChIKeyKLQUISRCBKPFDP-UHFFFAOYSA-N
XLogP2.84
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 121180557) is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1nc(N2CCN(C(=O)c3sc(C)nc3C)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is KLQUISRCBKPFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5OS/c1-9-14(26-11(3)20-9)15(25)24-6-4-23(5-7-24)13-8-12(16(17,18)19)21-10(2)22-13/h8H,4-7H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 385.42 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 121180557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).