[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C19H19F3N4O2S — CID 123497602

IUPAC[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1nccs1)N1CC(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1
InChIInChI=1S/C19H19F3N4O2S/c20-19(21,22)15-4-2-1-3-14(15)17(27)25-8-6-24(7-9-25)13-11-26(12-13)18(28)16-23-5-10-29-16/h1-5,10,13H,6-9,11-12H2
InChIKeyMESFLHOZNRXSMW-UHFFFAOYSA-N
MW424.45 g/mol
LogP2.44
Rot. Bonds3

About [4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 123497602) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is [4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID123497602
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC Name[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1nccs1)N1CC(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1
InChIInChI=1S/C19H19F3N4O2S/c20-19(21,22)15-4-2-1-3-14(15)17(27)25-8-6-24(7-9-25)13-11-26(12-13)18(28)16-23-5-10-29-16/h1-5,10,13H,6-9,11-12H2
InChIKeyMESFLHOZNRXSMW-UHFFFAOYSA-N
XLogP2.44
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 123497602) is [4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1nccs1)N1CC(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)C1.
What is the InChIKey of [4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is MESFLHOZNRXSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c20-19(21,22)15-4-2-1-3-14(15)17(27)25-8-6-24(7-9-25)13-11-26(12-13)18(28)16-23-5-10-29-16/h1-5,10,13H,6-9,11-12H2.
What are the key properties of [4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 424.45 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 123497602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).