[4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol

C17H20F3N3OS — CID 59594676

IUPAC[4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
SMILESCN1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)sc2CO)CC1
InChIInChI=1S/C17H20F3N3OS/c1-22-6-8-23(9-7-22)10-14-15(11-24)25-16(21-14)12-2-4-13(5-3-12)17(18,19)20/h2-5,24H,6-11H2,1H3
InChIKeyGXQPMYRVLXPTPZ-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.07
Rot. Bonds4

About [4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol

[4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol (PubChem CID 59594676) has the molecular formula C17H20F3N3OS and a molecular weight of 371.43 g/mol. Its IUPAC name is [4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
PubChem CID59594676
Molecular FormulaC17H20F3N3OS
Molecular Weight371.43 g/mol
Exact Mass371.13
IUPAC Name[4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
SMILESCN1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)sc2CO)CC1
InChIInChI=1S/C17H20F3N3OS/c1-22-6-8-23(9-7-22)10-14-15(11-24)25-16(21-14)12-2-4-13(5-3-12)17(18,19)20/h2-5,24H,6-11H2,1H3
InChIKeyGXQPMYRVLXPTPZ-UHFFFAOYSA-N
XLogP3.07
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol (CID 59594676) is [4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol is CN1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)sc2CO)CC1.
What is the InChIKey of [4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is GXQPMYRVLXPTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3OS/c1-22-6-8-23(9-7-22)10-14-15(11-24)25-16(21-14)12-2-4-13(5-3-12)17(18,19)20/h2-5,24H,6-11H2,1H3.
What are the key properties of [4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol?
[4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 371.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylpiperazin-1-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 59594676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).