2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole

C13H14F3N5S — CID 97186315

IUPAC2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole
SMILESC[C@@H]1CN(c2nccc(C(F)(F)F)n2)CCN1c1nccs1
InChIInChI=1S/C13H14F3N5S/c1-9-8-20(5-6-21(9)12-18-4-7-22-12)11-17-3-2-10(19-11)13(14,15)16/h2-4,7,9H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyYSRSJFBVZHNEKV-SECBINFHSA-N
MW329.35 g/mol
LogP2.67
Rot. Bonds2

About 2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole

2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole (PubChem CID 97186315) has the molecular formula C13H14F3N5S and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole
PubChem CID97186315
Molecular FormulaC13H14F3N5S
Molecular Weight329.35 g/mol
Exact Mass329.09
IUPAC Name2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole
SMILESC[C@@H]1CN(c2nccc(C(F)(F)F)n2)CCN1c1nccs1
InChIInChI=1S/C13H14F3N5S/c1-9-8-20(5-6-21(9)12-18-4-7-22-12)11-17-3-2-10(19-11)13(14,15)16/h2-4,7,9H,5-6,8H2,1H3/t9-/m1/s1
InChIKeyYSRSJFBVZHNEKV-SECBINFHSA-N
XLogP2.67
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole (CID 97186315) is 2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole is C[C@@H]1CN(c2nccc(C(F)(F)F)n2)CCN1c1nccs1.
What is the InChIKey of 2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is YSRSJFBVZHNEKV-SECBINFHSA-N. The full InChI is InChI=1S/C13H14F3N5S/c1-9-8-20(5-6-21(9)12-18-4-7-22-12)11-17-3-2-10(19-11)13(14,15)16/h2-4,7,9H,5-6,8H2,1H3/t9-/m1/s1.
What are the key properties of 2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole?
2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 329.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 97186315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).