[5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol

C16H18FN5OS — CID 139018528

IUPAC[5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C1CCCN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C16H18FN5OS/c1-21-14(9-23)19-20-15(21)10-3-2-6-22(8-10)16-18-12-5-4-11(17)7-13(12)24-16/h4-5,7,10,23H,2-3,6,8-9H2,1H3
InChIKeyHCLJPRWARIISIW-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.44
Rot. Bonds3

About [5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol

[5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 139018528) has the molecular formula C16H18FN5OS and a molecular weight of 347.42 g/mol. Its IUPAC name is [5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID139018528
Molecular FormulaC16H18FN5OS
Molecular Weight347.42 g/mol
Exact Mass347.12
IUPAC Name[5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCn1c(CO)nnc1C1CCCN(c2nc3ccc(F)cc3s2)C1
InChIInChI=1S/C16H18FN5OS/c1-21-14(9-23)19-20-15(21)10-3-2-6-22(8-10)16-18-12-5-4-11(17)7-13(12)24-16/h4-5,7,10,23H,2-3,6,8-9H2,1H3
InChIKeyHCLJPRWARIISIW-UHFFFAOYSA-N
XLogP2.44
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol with MolForge

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Related Compounds

(3S)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 97286184
methyl 1-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90610143
[5-[1-(2-fluoro-4-nitrophenyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 138009062
[2-[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-1,3-thiazol-4-yl]methanol
CID 95860685
(4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90610151
N-(3,4-difluorophenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90610246
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
2-cyclopropyl-5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-4-yl]-1,3,4-oxadiazole
CID 155975029
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 90610267
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 90610219
2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 133320302
6-fluoro-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-1,3-benzothiazole
CID 171705365

Frequently Asked Questions

What is the IUPAC name of [5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol (CID 139018528) is [5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol is Cn1c(CO)nnc1C1CCCN(c2nc3ccc(F)cc3s2)C1.
What is the InChIKey of [5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is HCLJPRWARIISIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5OS/c1-21-14(9-23)19-20-15(21)10-3-2-6-22(8-10)16-18-12-5-4-11(17)7-13(12)24-16/h4-5,7,10,23H,2-3,6,8-9H2,1H3.
What are the key properties of [5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 347.42 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 139018528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).