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

C17H23N3OS2 — CID 97399500

IUPAC11-(1,3-thiazol-2-yl)-3-(thiophen-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESc1csc(CN2CCC3(CC2)COCCN(c2nccs2)C3)c1
InChIInChI=1S/C17H23N3OS2/c1-2-15(22-10-1)12-19-6-3-17(4-7-19)13-20(8-9-21-14-17)16-18-5-11-23-16/h1-2,5,10-11H,3-4,6-9,12-14H2
InChIKeyHCXBAMVOMZENGF-UHFFFAOYSA-N
MW349.53 g/mol
LogP3.32
Rot. Bonds3

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

11-(1,3-thiazol-2-yl)-3-(thiophen-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane (PubChem CID 97399500) has the molecular formula C17H23N3OS2 and a molecular weight of 349.53 g/mol. Its IUPAC name is 11-(1,3-thiazol-2-yl)-3-(thiophen-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-(1,3-thiazol-2-yl)-3-(thiophen-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane
PubChem CID97399500
Molecular FormulaC17H23N3OS2
Molecular Weight349.53 g/mol
Exact Mass349.13
IUPAC Name11-(1,3-thiazol-2-yl)-3-(thiophen-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane
SMILESc1csc(CN2CCC3(CC2)COCCN(c2nccs2)C3)c1
InChIInChI=1S/C17H23N3OS2/c1-2-15(22-10-1)12-19-6-3-17(4-7-19)13-20(8-9-21-14-17)16-18-5-11-23-16/h1-2,5,10-11H,3-4,6-9,12-14H2
InChIKeyHCXBAMVOMZENGF-UHFFFAOYSA-N
XLogP3.32
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.53
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11-(1,3-thiazol-2-yl)-3-(thiophen-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
The IUPAC name of 11-(1,3-thiazol-2-yl)-3-(thiophen-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane (CID 97399500) is 11-(1,3-thiazol-2-yl)-3-(thiophen-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 11-(1,3-thiazol-2-yl)-3-(thiophen-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 11-(1,3-thiazol-2-yl)-3-(thiophen-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane is c1csc(CN2CCC3(CC2)COCCN(c2nccs2)C3)c1.
What is the InChIKey of 11-(1,3-thiazol-2-yl)-3-(thiophen-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
The InChIKey is HCXBAMVOMZENGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS2/c1-2-15(22-10-1)12-19-6-3-17(4-7-19)13-20(8-9-21-14-17)16-18-5-11-23-16/h1-2,5,10-11H,3-4,6-9,12-14H2.
What are the key properties of 11-(1,3-thiazol-2-yl)-3-(thiophen-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane?
11-(1,3-thiazol-2-yl)-3-(thiophen-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane has a molecular weight of 349.53 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(1,3-thiazol-2-yl)-3-(thiophen-2-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 97399500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).