[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol

C19H22FN5OS — CID 133451325

IUPAC[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCCN(c2nnc(Cc3ccccc3F)s2)C1
InChIInChI=1S/C19H22FN5OS/c1-24-10-8-21-18(24)17(26)14-6-4-9-25(12-14)19-23-22-16(27-19)11-13-5-2-3-7-15(13)20/h2-3,5,7-8,10,14,17,26H,4,6,9,11-12H2,1H3
InChIKeyMGIJOFYQCIGXAI-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.95
Rot. Bonds5

About [1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol

[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 133451325) has the molecular formula C19H22FN5OS and a molecular weight of 387.48 g/mol. Its IUPAC name is [1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID133451325
Molecular FormulaC19H22FN5OS
Molecular Weight387.48 g/mol
Exact Mass387.15
IUPAC Name[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)C1CCCN(c2nnc(Cc3ccccc3F)s2)C1
InChIInChI=1S/C19H22FN5OS/c1-24-10-8-21-18(24)17(26)14-6-4-9-25(12-14)19-23-22-16(27-19)11-13-5-2-3-7-15(13)20/h2-3,5,7-8,10,14,17,26H,4,6,9,11-12H2,1H3
InChIKeyMGIJOFYQCIGXAI-UHFFFAOYSA-N
XLogP2.95
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol (CID 133451325) is [1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)C1CCCN(c2nnc(Cc3ccccc3F)s2)C1.
What is the InChIKey of [1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is MGIJOFYQCIGXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5OS/c1-24-10-8-21-18(24)17(26)14-6-4-9-25(12-14)19-23-22-16(27-19)11-13-5-2-3-7-15(13)20/h2-3,5,7-8,10,14,17,26H,4,6,9,11-12H2,1H3.
What are the key properties of [1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol?
[1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 387.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 133451325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).