5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole

C10H13F3N2S — CID 123961253

IUPAC5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
SMILESCc1cnc(N2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H13F3N2S/c1-7-6-14-9(16-7)15-4-2-8(3-5-15)10(11,12)13/h6,8H,2-5H2,1H3
InChIKeyQPARHKJFTJISFO-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.23
Rot. Bonds1

About 5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole

5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole (PubChem CID 123961253) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
PubChem CID123961253
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
SMILESCc1cnc(N2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C10H13F3N2S/c1-7-6-14-9(16-7)15-4-2-8(3-5-15)10(11,12)13/h6,8H,2-5H2,1H3
InChIKeyQPARHKJFTJISFO-UHFFFAOYSA-N
XLogP3.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole?
The IUPAC name of 5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole (CID 123961253) is 5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole?
The canonical SMILES for 5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole is Cc1cnc(N2CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of 5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole?
The InChIKey is QPARHKJFTJISFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c1-7-6-14-9(16-7)15-4-2-8(3-5-15)10(11,12)13/h6,8H,2-5H2,1H3.
What are the key properties of 5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole?
5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole has a molecular weight of 250.29 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole is sourced from PubChem (CID 123961253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).