2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole

C10H13F3N2S — CID 133365893

IUPAC2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCC1CCCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C10H13F3N2S/c1-7-3-2-4-15(5-7)9-14-8(6-16-9)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyYXIMZVVHQHVKAL-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.40
Rot. Bonds1

About 2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole

2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 133365893) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID133365893
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCC1CCCN(c2nc(C(F)(F)F)cs2)C1
InChIInChI=1S/C10H13F3N2S/c1-7-3-2-4-15(5-7)9-14-8(6-16-9)10(11,12)13/h6-7H,2-5H2,1H3
InChIKeyYXIMZVVHQHVKAL-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 133365893) is 2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole is CC1CCCN(c2nc(C(F)(F)F)cs2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is YXIMZVVHQHVKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c1-7-3-2-4-15(5-7)9-14-8(6-16-9)10(11,12)13/h6-7H,2-5H2,1H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 250.29 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 133365893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).