(4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone

C15H25N3O2S — CID 56738791

IUPAC(4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CC[C@@](C)(O)[C@@H](CC(C)C)C1
InChIInChI=1S/C15H25N3O2S/c1-5-12-13(21-17-16-12)14(19)18-7-6-15(4,20)11(9-18)8-10(2)3/h10-11,20H,5-9H2,1-4H3/t11-,15+/m0/s1
InChIKeyRIAKVPRYZURCKT-XHDPSFHLSA-N
MW311.45 g/mol
LogP2.36
Rot. Bonds4

About (4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone

(4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone (PubChem CID 56738791) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone
PubChem CID56738791
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name(4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone
SMILESCCc1nnsc1C(=O)N1CC[C@@](C)(O)[C@@H](CC(C)C)C1
InChIInChI=1S/C15H25N3O2S/c1-5-12-13(21-17-16-12)14(19)18-7-6-15(4,20)11(9-18)8-10(2)3/h10-11,20H,5-9H2,1-4H3/t11-,15+/m0/s1
InChIKeyRIAKVPRYZURCKT-XHDPSFHLSA-N
XLogP2.36
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-Ethyl-1,2,3-thiadiazol-5-yl)carbonyl]-3,4,4-trimethylpyrrolidin-3-ol
CID 70738121
{(3R*,4R*)-1-[(4-isopropyl-1,2,3-thiadiazol-5-yl)carbonyl]-4-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-3-yl}methanol
CID 72861088
4-[(4-Isopropyl-1,2,3-thiadiazol-5-yl)carbonyl]-2-(4-methylpentyl)morpholine
CID 56872822
(3,5-Dimethylpiperidin-1-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 45796017
(4-Ethylthiadiazol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 45796019
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(4-ethylthiadiazol-5-yl)methanone
CID 45798705
(3-Ethylpiperidin-1-yl)-(4-ethylthiadiazol-5-yl)methanone
CID 45816457
(4-Ethylthiadiazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 45846590
(4-ethylthiadiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51726054
(4-ethylthiadiazol-5-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 51726055
(4-Ethylthiadiazol-5-yl)-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
CID 53609901
4-ethyl-N-methyl-N-(2-methylcyclohexyl)thiadiazole-5-carboxamide
CID 60434292

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone (CID 56738791) is (4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone is CCc1nnsc1C(=O)N1CC[C@@](C)(O)[C@@H](CC(C)C)C1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone?
The InChIKey is RIAKVPRYZURCKT-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-5-12-13(21-17-16-12)14(19)18-7-6-15(4,20)11(9-18)8-10(2)3/h10-11,20H,5-9H2,1-4H3/t11-,15+/m0/s1.
What are the key properties of (4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone?
(4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone has a molecular weight of 311.45 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-[(3S,4R)-4-hydroxy-4-methyl-3-(2-methylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56738791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).