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

C9H14ClN3OS — CID 80609754

IUPAC[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1nnc(Cl)s1
InChIInChI=1S/C9H14ClN3OS/c10-9-12-11-8(15-9)5-13-4-2-1-3-7(13)6-14/h7,14H,1-6H2
InChIKeyWGVWWRWWLSAQEX-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.54
Rot. Bonds3

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

[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol (PubChem CID 80609754) has the molecular formula C9H14ClN3OS and a molecular weight of 247.75 g/mol. Its IUPAC name is [1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol
PubChem CID80609754
Molecular FormulaC9H14ClN3OS
Molecular Weight247.75 g/mol
Exact Mass247.05
IUPAC Name[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol
SMILESOCC1CCCCN1Cc1nnc(Cl)s1
InChIInChI=1S/C9H14ClN3OS/c10-9-12-11-8(15-9)5-13-4-2-1-3-7(13)6-14/h7,14H,1-6H2
InChIKeyWGVWWRWWLSAQEX-UHFFFAOYSA-N
XLogP1.54
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 80609340
5-[(2-ethylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 79021704
[(2R)-1-[(6-chloropyridazin-3-yl)methyl]piperidin-2-yl]methanol
CID 97169575
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol
CID 60685083
ethyl 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxylate
CID 80611294
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
CID 116637584
[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
CID 86329631
[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 103881513
[(2S)-1-[(2-chloro-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 130552786
[1-[(2,4-dichlorophenyl)methyl]azepan-2-yl]methanol
CID 116637812
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide
CID 80611271
[1-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-2-yl]methanol
CID 61406446

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol (CID 80609754) is [1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol is OCC1CCCCN1Cc1nnc(Cl)s1.
What is the InChIKey of [1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol?
The InChIKey is WGVWWRWWLSAQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3OS/c10-9-12-11-8(15-9)5-13-4-2-1-3-7(13)6-14/h7,14H,1-6H2.
What are the key properties of [1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol?
[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol has a molecular weight of 247.75 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 80609754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).