[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone

C17H21N3O2S2 — CID 131658545

IUPAC[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCOCC2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C17H21N3O2S2/c21-16(14-2-1-8-23-14)20-6-7-22-13-17(12-20)3-5-19(11-17)10-15-18-4-9-24-15/h1-2,4,8-9H,3,5-7,10-13H2
InChIKeyOWKGHMSSIDLYFS-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.57
Rot. Bonds3

About [2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone

[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone (PubChem CID 131658545) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
PubChem CID131658545
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC Name[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCOCC2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C17H21N3O2S2/c21-16(14-2-1-8-23-14)20-6-7-22-13-17(12-20)3-5-19(11-17)10-15-18-4-9-24-15/h1-2,4,8-9H,3,5-7,10-13H2
InChIKeyOWKGHMSSIDLYFS-UHFFFAOYSA-N
XLogP2.57
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone (CID 131658545) is [2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCOCC2(CCN(Cc3nccs3)C2)C1.
What is the InChIKey of [2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone?
The InChIKey is OWKGHMSSIDLYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c21-16(14-2-1-8-23-14)20-6-7-22-13-17(12-20)3-5-19(11-17)10-15-18-4-9-24-15/h1-2,4,8-9H,3,5-7,10-13H2.
What are the key properties of [2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone?
[2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone has a molecular weight of 363.51 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 131658545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).