[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C19H21FN4OS — CID 133395803

IUPAC[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C19H21FN4OS/c1-23-11-8-21-18(23)17(25)14-6-9-24(10-7-14)19-22-16(12-26-19)13-2-4-15(20)5-3-13/h2-5,8,11-12,14,17,25H,6-7,9-10H2,1H3
InChIKeyLSFWERPMGLPRTL-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.63
Rot. Bonds4

About [1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 133395803) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is [1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID133395803
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C19H21FN4OS/c1-23-11-8-21-18(23)17(25)14-6-9-24(10-7-14)19-22-16(12-26-19)13-2-4-15(20)5-3-13/h2-5,8,11-12,14,17,25H,6-7,9-10H2,1H3
InChIKeyLSFWERPMGLPRTL-UHFFFAOYSA-N
XLogP3.63
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 133395803) is [1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of [1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is LSFWERPMGLPRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-23-11-8-21-18(23)17(25)14-6-9-24(10-7-14)19-22-16(12-26-19)13-2-4-15(20)5-3-13/h2-5,8,11-12,14,17,25H,6-7,9-10H2,1H3.
What are the key properties of [1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 372.47 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 133395803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).