3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane

C18H30N4OS — CID 97412822

IUPAC3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESc1csc(N2CCOCC3(CCN(CCN4CCCC4)CC3)C2)n1
InChIInChI=1S/C18H30N4OS/c1-2-7-20(6-1)10-11-21-8-3-18(4-9-21)15-22(12-13-23-16-18)17-19-5-14-24-17/h5,14H,1-4,6-13,15-16H2
InChIKeyAPCQGAWDQFQAQI-UHFFFAOYSA-N
MW350.53 g/mol
LogP2.16
Rot. Bonds4

About 3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane

3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane (PubChem CID 97412822) has the molecular formula C18H30N4OS and a molecular weight of 350.53 g/mol. Its IUPAC name is 3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane
PubChem CID97412822
Molecular FormulaC18H30N4OS
Molecular Weight350.53 g/mol
Exact Mass350.21
IUPAC Name3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESc1csc(N2CCOCC3(CCN(CCN4CCCC4)CC3)C2)n1
InChIInChI=1S/C18H30N4OS/c1-2-7-20(6-1)10-11-21-8-3-18(4-9-21)15-22(12-13-23-16-18)17-19-5-14-24-17/h5,14H,1-4,6-13,15-16H2
InChIKeyAPCQGAWDQFQAQI-UHFFFAOYSA-N
XLogP2.16
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
The IUPAC name of 3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane (CID 97412822) is 3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane is c1csc(N2CCOCC3(CCN(CCN4CCCC4)CC3)C2)n1.
What is the InChIKey of 3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
The InChIKey is APCQGAWDQFQAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4OS/c1-2-7-20(6-1)10-11-21-8-3-18(4-9-21)15-22(12-13-23-16-18)17-19-5-14-24-17/h5,14H,1-4,6-13,15-16H2.
What are the key properties of 3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane has a molecular weight of 350.53 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyrrolidin-1-ylethyl)-11-(1,3-thiazol-2-yl)-8-oxa-3,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97412822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).