(3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

C18H27N3O2S — CID 131683838

IUPAC(3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESCC1CC(C(=O)N2CCCC3(COCCN(c4nccs4)C3)C2)C1
InChIInChI=1S/C18H27N3O2S/c1-14-9-15(10-14)16(22)20-5-2-3-18(11-20)12-21(6-7-23-13-18)17-19-4-8-24-17/h4,8,14-15H,2-3,5-7,9-13H2,1H3
InChIKeyJDLLQRQLAZOBRJ-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.63
Rot. Bonds2

About (3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone

(3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (PubChem CID 131683838) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is (3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.

Molecular Properties

Compound Name(3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
PubChem CID131683838
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name(3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
SMILESCC1CC(C(=O)N2CCCC3(COCCN(c4nccs4)C3)C2)C1
InChIInChI=1S/C18H27N3O2S/c1-14-9-15(10-14)16(22)20-5-2-3-18(11-20)12-21(6-7-23-13-18)17-19-4-8-24-17/h4,8,14-15H,2-3,5-7,9-13H2,1H3
InChIKeyJDLLQRQLAZOBRJ-UHFFFAOYSA-N
XLogP2.63
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The IUPAC name of (3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone (CID 131683838) is (3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone.
What is the SMILES notation for (3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The canonical SMILES for (3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is CC1CC(C(=O)N2CCCC3(COCCN(c4nccs4)C3)C2)C1.
What is the InChIKey of (3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
The InChIKey is JDLLQRQLAZOBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14-9-15(10-14)16(22)20-5-2-3-18(11-20)12-21(6-7-23-13-18)17-19-4-8-24-17/h4,8,14-15H,2-3,5-7,9-13H2,1H3.
What are the key properties of (3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone?
(3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone has a molecular weight of 349.50 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclobutyl)-[11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone is sourced from PubChem (CID 131683838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).