(4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone

C11H15N3O2S2 — CID 56764619

IUPAC(4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC2(CC1)OCCS2
InChIInChI=1S/C11H15N3O2S2/c1-8-9(18-13-12-8)10(15)14-4-2-11(3-5-14)16-6-7-17-11/h2-7H2,1H3
InChIKeyWJTQPPGEOQDJEI-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.54
Rot. Bonds1

About (4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone

(4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 56764619) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID56764619
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name(4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC2(CC1)OCCS2
InChIInChI=1S/C11H15N3O2S2/c1-8-9(18-13-12-8)10(15)14-4-2-11(3-5-14)16-6-7-17-11/h2-7H2,1H3
InChIKeyWJTQPPGEOQDJEI-UHFFFAOYSA-N
XLogP1.54
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone (CID 56764619) is (4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone is Cc1nnsc1C(=O)N1CCC2(CC1)OCCS2.
What is the InChIKey of (4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is WJTQPPGEOQDJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c1-8-9(18-13-12-8)10(15)14-4-2-11(3-5-14)16-6-7-17-11/h2-7H2,1H3.
What are the key properties of (4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone?
(4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 56764619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).