1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol

C19H21FN4OS — CID 74233807

IUPAC1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C19H21FN4OS/c20-16-3-1-15(2-4-16)17-12-26-18(22-17)11-23-8-5-19(25,6-9-23)13-24-10-7-21-14-24/h1-4,7,10,12,14,25H,5-6,8-9,11,13H2
InChIKeyIQOGRYNUUJIHPC-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.17
Rot. Bonds5

About 1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol

1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol (PubChem CID 74233807) 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]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
PubChem CID74233807
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol
SMILESOC1(Cn2ccnc2)CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C19H21FN4OS/c20-16-3-1-15(2-4-16)17-12-26-18(22-17)11-23-8-5-19(25,6-9-23)13-24-10-7-21-14-24/h1-4,7,10,12,14,25H,5-6,8-9,11,13H2
InChIKeyIQOGRYNUUJIHPC-UHFFFAOYSA-N
XLogP3.17
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30463998
1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 137345365
2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780540
2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole
CID 77095750
4-(imidazol-1-ylmethyl)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-ol
CID 74251154
2-(4-fluorophenyl)-1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 71780187
4-(4-fluorophenyl)-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 135092286
(2,4-difluorophenyl)-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone;hydrochloride
CID 71780196
4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 30464037
4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99943600
4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 70524977
4-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 25191881

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol (CID 74233807) is 1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol is OC1(Cn2ccnc2)CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol?
The InChIKey is IQOGRYNUUJIHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c20-16-3-1-15(2-4-16)17-12-26-18(22-17)11-23-8-5-19(25,6-9-23)13-24-10-7-21-14-24/h1-4,7,10,12,14,25H,5-6,8-9,11,13H2.
What are the key properties of 1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol?
1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol has a molecular weight of 372.47 g/mol, XLogP of 3.17, 5 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]methyl]-4-(imidazol-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 74233807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).