(3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

C9H13N3O2S — CID 43393276

IUPAC(3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C9H13N3O2S/c1-6-8(15-11-10-6)9(14)12-4-2-3-7(13)5-12/h7,13H,2-5H2,1H3
InChIKeyTUTYZULKHBNENJ-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.44
Rot. Bonds1

About (3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone

(3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (PubChem CID 43393276) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
PubChem CID43393276
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name(3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C9H13N3O2S/c1-6-8(15-11-10-6)9(14)12-4-2-3-7(13)5-12/h7,13H,2-5H2,1H3
InChIKeyTUTYZULKHBNENJ-UHFFFAOYSA-N
XLogP0.44
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Ethylthiadiazol-5-yl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 53626744
N-(1-ethyl-2-hydroxyethyl)(4-methyl(1,2,3-thiadiazol-5-yl))carboxamide
CID 6852055
{(3R*,4R*)-4-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]methyl}-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-pyrrolidinyl}methanol
CID 72912270
[(2S,3S)-3-hydroxy-2-methylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 164641692
(3S*,4S*)-4-(4,4-difluoro-1-piperidinyl)-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-pyrrolidinol
CID 56911877
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylthiadiazole-5-carboxamide
CID 107483148
N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 113832866
(4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone hydrochloride
CID 71783135
[4-(2-Cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 71783136
(3-(Hydroxymethyl)morpholino)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 71785826
[3-[[2-Hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-(4-methylthiadiazol-5-yl)methanone
CID 71786012
{(3R*,5R*)-5-{[(2-methoxyethyl)(methyl)amino]methyl}-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-3-piperidinyl}methanol
CID 72941390

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone (CID 43393276) is (3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is TUTYZULKHBNENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-8(15-11-10-6)9(14)12-4-2-3-7(13)5-12/h7,13H,2-5H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone?
(3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 227.29 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 43393276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).