[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone

C19H23F3N4OS2 — CID 53158668

IUPAC[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)s1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1
InChIInChI=1S/C19H23F3N4OS2/c20-19(21,22)16-5-4-15(29-16)17(27)25-8-10-26(11-9-25)18-23-14(13-28-18)12-24-6-2-1-3-7-24/h4-5,13H,1-3,6-12H2
InChIKeyHNKFWHZZGAMWLJ-UHFFFAOYSA-N
MW444.55 g/mol
LogP4.17
Rot. Bonds4

About [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone

[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone (PubChem CID 53158668) has the molecular formula C19H23F3N4OS2 and a molecular weight of 444.55 g/mol. Its IUPAC name is [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
PubChem CID53158668
Molecular FormulaC19H23F3N4OS2
Molecular Weight444.55 g/mol
Exact Mass444.13
IUPAC Name[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(C(F)(F)F)s1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1
InChIInChI=1S/C19H23F3N4OS2/c20-19(21,22)16-5-4-15(29-16)17(27)25-8-10-26(11-9-25)18-23-14(13-28-18)12-24-6-2-1-3-7-24/h4-5,13H,1-3,6-12H2
InChIKeyHNKFWHZZGAMWLJ-UHFFFAOYSA-N
XLogP4.17
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The IUPAC name of [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone (CID 53158668) is [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone.
What is the SMILES notation for [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The canonical SMILES for [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone is O=C(c1ccc(C(F)(F)F)s1)N1CCN(c2nc(CN3CCCCC3)cs2)CC1.
What is the InChIKey of [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The InChIKey is HNKFWHZZGAMWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4OS2/c20-19(21,22)16-5-4-15(29-16)17(27)25-8-10-26(11-9-25)18-23-14(13-28-18)12-24-6-2-1-3-7-24/h4-5,13H,1-3,6-12H2.
What are the key properties of [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone?
[4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone has a molecular weight of 444.55 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]-[5-(trifluoromethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 53158668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).