(4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone

C10H14N4O2S — CID 65205038

IUPAC(4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCC(=NO)CC1
InChIInChI=1S/C10H14N4O2S/c1-2-8-9(17-13-11-8)10(15)14-5-3-7(12-16)4-6-14/h16H,2-6H2,1H3
InChIKeyPIOFSCLUPCCTPO-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.17
Rot. Bonds2

About (4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone

(4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone (PubChem CID 65205038) has the molecular formula C10H14N4O2S and a molecular weight of 254.31 g/mol. Its IUPAC name is (4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
PubChem CID65205038
Molecular FormulaC10H14N4O2S
Molecular Weight254.31 g/mol
Exact Mass254.08
IUPAC Name(4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone
SMILESCCc1nnsc1C(=O)N1CCC(=NO)CC1
InChIInChI=1S/C10H14N4O2S/c1-2-8-9(17-13-11-8)10(15)14-5-3-7(12-16)4-6-14/h16H,2-6H2,1H3
InChIKeyPIOFSCLUPCCTPO-UHFFFAOYSA-N
XLogP1.17
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxyiminopiperidin-1-yl)-(4-propylthiadiazol-5-yl)methanone
CID 65205088
3-ethyl-1-(4-ethylthiadiazole-5-carbonyl)piperidin-4-one
CID 114508168
[4-(2-bromoethyl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80660823
1-(4-ethylthiadiazole-5-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 65205242
[4-(bromomethyl)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 80678099
(4-ethylthiadiazol-5-yl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95353960
(4-ethylthiadiazol-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543322
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511
(4-ethylthiadiazol-5-yl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47284874
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone;hydrochloride
CID 119622207
(4-ethylthiadiazol-5-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96500686
(3S)-1-(4-ethylthiadiazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124512514

Frequently Asked Questions

What is the IUPAC name of (4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The IUPAC name of (4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone (CID 65205038) is (4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone.
What is the SMILES notation for (4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The canonical SMILES for (4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone is CCc1nnsc1C(=O)N1CCC(=NO)CC1.
What is the InChIKey of (4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone?
The InChIKey is PIOFSCLUPCCTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S/c1-2-8-9(17-13-11-8)10(15)14-5-3-7(12-16)4-6-14/h16H,2-6H2,1H3.
What are the key properties of (4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone?
(4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone has a molecular weight of 254.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylthiadiazol-5-yl)-(4-hydroxyiminopiperidin-1-yl)methanone is sourced from PubChem (CID 65205038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).