(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone

C12H20N4O2S — CID 114681692

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCCNc1nnc(C(=O)N2CCC(O)C(C)C2)s1
InChIInChI=1S/C12H20N4O2S/c1-3-5-13-12-15-14-10(19-12)11(18)16-6-4-9(17)8(2)7-16/h8-9,17H,3-7H2,1-2H3,(H,13,15)
InChIKeyRBSDGVTYBFVBES-UHFFFAOYSA-N
MW284.39 g/mol
LogP1.20
Rot. Bonds4

About (4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone

(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone (PubChem CID 114681692) has the molecular formula C12H20N4O2S and a molecular weight of 284.39 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
PubChem CID114681692
Molecular FormulaC12H20N4O2S
Molecular Weight284.39 g/mol
Exact Mass284.13
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCCNc1nnc(C(=O)N2CCC(O)C(C)C2)s1
InChIInChI=1S/C12H20N4O2S/c1-3-5-13-12-15-14-10(19-12)11(18)16-6-4-9(17)8(2)7-16/h8-9,17H,3-7H2,1-2H3,(H,13,15)
InChIKeyRBSDGVTYBFVBES-UHFFFAOYSA-N
XLogP1.20
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 102964764
(3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80617390
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 114799849
[5-(propylamino)-1,3,4-thiadiazol-2-yl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 80619244
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 115561682
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107377097
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 114681667
[2-chloro-6-(propylamino)-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681717
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 80619246
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616088
N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616011
[5-(methylamino)-1,3,4-thiadiazol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 80615425

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone (CID 114681692) is (4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone is CCCNc1nnc(C(=O)N2CCC(O)C(C)C2)s1.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone?
The InChIKey is RBSDGVTYBFVBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-3-5-13-12-15-14-10(19-12)11(18)16-6-4-9(17)8(2)7-16/h8-9,17H,3-7H2,1-2H3,(H,13,15).
What are the key properties of (4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone?
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone has a molecular weight of 284.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone is sourced from PubChem (CID 114681692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).