[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C19H20F3N3OS — CID 30860481

IUPAC[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(Cc2nc(C3CC3)cs2)CC1
InChIInChI=1S/C19H20F3N3OS/c20-19(21,22)15-4-2-1-3-14(15)18(26)25-9-7-24(8-10-25)11-17-23-16(12-27-17)13-5-6-13/h1-4,12-13H,5-11H2
InChIKeyOBYMBKUWHSVPMQ-UHFFFAOYSA-N
MW395.45 g/mol
LogP4.00
Rot. Bonds4

About [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 30860481) has the molecular formula C19H20F3N3OS and a molecular weight of 395.45 g/mol. Its IUPAC name is [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID30860481
Molecular FormulaC19H20F3N3OS
Molecular Weight395.45 g/mol
Exact Mass395.13
IUPAC Name[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(Cc2nc(C3CC3)cs2)CC1
InChIInChI=1S/C19H20F3N3OS/c20-19(21,22)15-4-2-1-3-14(15)18(26)25-9-7-24(8-10-25)11-17-23-16(12-27-17)13-5-6-13/h1-4,12-13H,5-11H2
InChIKeyOBYMBKUWHSVPMQ-UHFFFAOYSA-N
XLogP4.00
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 30860481) is [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1CCN(Cc2nc(C3CC3)cs2)CC1.
What is the InChIKey of [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is OBYMBKUWHSVPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3OS/c20-19(21,22)15-4-2-1-3-14(15)18(26)25-9-7-24(8-10-25)11-17-23-16(12-27-17)13-5-6-13/h1-4,12-13H,5-11H2.
What are the key properties of [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 395.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 30860481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).