(2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C10H10BrF3N2OS — CID 167312022

IUPAC(2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnc(Br)s1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H10BrF3N2OS/c11-9-15-4-7(18-9)8(17)16-3-1-2-6(5-16)10(12,13)14/h4,6H,1-3,5H2
InChIKeyKIWZCIRRAPBPHZ-UHFFFAOYSA-N
MW343.17 g/mol
LogP3.32
Rot. Bonds1

About (2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 167312022) has the molecular formula C10H10BrF3N2OS and a molecular weight of 343.17 g/mol. Its IUPAC name is (2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID167312022
Molecular FormulaC10H10BrF3N2OS
Molecular Weight343.17 g/mol
Exact Mass341.96
IUPAC Name(2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cnc(Br)s1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H10BrF3N2OS/c11-9-15-4-7(18-9)8(17)16-3-1-2-6(5-16)10(12,13)14/h4,6H,1-3,5H2
InChIKeyKIWZCIRRAPBPHZ-UHFFFAOYSA-N
XLogP3.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 167312022) is (2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cnc(Br)s1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is KIWZCIRRAPBPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2OS/c11-9-15-4-7(18-9)8(17)16-3-1-2-6(5-16)10(12,13)14/h4,6H,1-3,5H2.
What are the key properties of (2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 343.17 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-1,3-thiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 167312022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).