2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone

C15H23N3O3S — CID 97372277

IUPAC2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(Cc1nccs1)CCO2
InChIInChI=1S/C15H23N3O3S/c1-20-11-14(19)18-5-2-15(3-6-18)12-17(7-8-21-15)10-13-16-4-9-22-13/h4,9H,2-3,5-8,10-12H2,1H3
InChIKeyAGWRVHNTWWFRQQ-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.98
Rot. Bonds4

About 2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone

2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 97372277) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
PubChem CID97372277
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(Cc1nccs1)CCO2
InChIInChI=1S/C15H23N3O3S/c1-20-11-14(19)18-5-2-15(3-6-18)12-17(7-8-21-15)10-13-16-4-9-22-13/h4,9H,2-3,5-8,10-12H2,1H3
InChIKeyAGWRVHNTWWFRQQ-UHFFFAOYSA-N
XLogP0.98
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone (CID 97372277) is 2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone is COCC(=O)N1CCC2(CC1)CN(Cc1nccs1)CCO2.
What is the InChIKey of 2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is AGWRVHNTWWFRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-20-11-14(19)18-5-2-15(3-6-18)12-17(7-8-21-15)10-13-16-4-9-22-13/h4,9H,2-3,5-8,10-12H2,1H3.
What are the key properties of 2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone?
2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 325.43 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 97372277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).