3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one

C16H15NO2S — CID 139095443

IUPAC3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one
SMILESO=C1OC2(CCCCC2)c2nsc(-c3ccccc3)c21
InChIInChI=1S/C16H15NO2S/c18-15-12-13(11-7-3-1-4-8-11)20-17-14(12)16(19-15)9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyMOPIQBQOQPWTRE-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.14
Rot. Bonds1

About 3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one

3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one (PubChem CID 139095443) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one.

Molecular Properties

Compound Name3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one
PubChem CID139095443
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one
SMILESO=C1OC2(CCCCC2)c2nsc(-c3ccccc3)c21
InChIInChI=1S/C16H15NO2S/c18-15-12-13(11-7-3-1-4-8-11)20-17-14(12)16(19-15)9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-10H2
InChIKeyMOPIQBQOQPWTRE-UHFFFAOYSA-N
XLogP4.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one?
The IUPAC name of 3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one (CID 139095443) is 3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one.
What is the SMILES notation for 3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one?
The canonical SMILES for 3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one is O=C1OC2(CCCCC2)c2nsc(-c3ccccc3)c21.
What is the InChIKey of 3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one?
The InChIKey is MOPIQBQOQPWTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c18-15-12-13(11-7-3-1-4-8-11)20-17-14(12)16(19-15)9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-10H2.
What are the key properties of 3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one?
3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one has a molecular weight of 285.37 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-phenylspiro[cyclohexane-1,6'-furo[3,4-c][1,2]thiazole]-4'-one is sourced from PubChem (CID 139095443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).