(5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C9H12ClN3O2S — CID 102957023

IUPAC(5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2nnc(Cl)s2)CC1O
InChIInChI=1S/C9H12ClN3O2S/c1-5-2-3-13(4-6(5)14)8(15)7-11-12-9(10)16-7/h5-6,14H,2-4H2,1H3
InChIKeyFGVLNHCUGORCHV-UHFFFAOYSA-N
MW261.73 g/mol
LogP1.03
Rot. Bonds1

About (5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

(5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102957023) has the molecular formula C9H12ClN3O2S and a molecular weight of 261.73 g/mol. Its IUPAC name is (5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID102957023
Molecular FormulaC9H12ClN3O2S
Molecular Weight261.73 g/mol
Exact Mass261.03
IUPAC Name(5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2nnc(Cl)s2)CC1O
InChIInChI=1S/C9H12ClN3O2S/c1-5-2-3-13(4-6(5)14)8(15)7-11-12-9(10)16-7/h5-6,14H,2-4H2,1H3
InChIKeyFGVLNHCUGORCHV-UHFFFAOYSA-N
XLogP1.03
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 102964764
(5-chloro-1,3,4-thiadiazol-2-yl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 80619318
1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidine-4-carboxamide
CID 80625054
(5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 80625752
(2,6-dichloro-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348347
(5-chloro-1,3,4-thiadiazol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102778647
2-[1-(5-chloro-1,3,4-thiadiazole-2-carbonyl)piperidin-4-yl]acetamide
CID 80625458
(4,5-dibromothiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900858
(5-chloro-1,3,4-thiadiazol-2-yl)-(3-propoxypiperidin-1-yl)methanone
CID 80618499
(5-chloro-1,3,4-thiadiazol-2-yl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 80618666
(5-ethylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900661
(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 102957023) is (5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2nnc(Cl)s2)CC1O.
What is the InChIKey of (5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is FGVLNHCUGORCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S/c1-5-2-3-13(4-6(5)14)8(15)7-11-12-9(10)16-7/h5-6,14H,2-4H2,1H3.
What are the key properties of (5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 261.73 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3,4-thiadiazol-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102957023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).