1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone

C18H27N3O3S — CID 164636963

IUPAC1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
SMILESCCc1nc(CC(=O)N2CCN(C(C)=O)C3(CCOCC3)CC2)cs1
InChIInChI=1S/C18H27N3O3S/c1-3-16-19-15(13-25-16)12-17(23)20-7-4-18(5-10-24-11-6-18)21(9-8-20)14(2)22/h13H,3-12H2,1-2H3
InChIKeyVHNDQUCQPDKKHV-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.88
Rot. Bonds3

About 1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone

1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone (PubChem CID 164636963) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
PubChem CID164636963
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone
SMILESCCc1nc(CC(=O)N2CCN(C(C)=O)C3(CCOCC3)CC2)cs1
InChIInChI=1S/C18H27N3O3S/c1-3-16-19-15(13-25-16)12-17(23)20-7-4-18(5-10-24-11-6-18)21(9-8-20)14(2)22/h13H,3-12H2,1-2H3
InChIKeyVHNDQUCQPDKKHV-UHFFFAOYSA-N
XLogP1.88
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone (CID 164636963) is 1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone is CCc1nc(CC(=O)N2CCN(C(C)=O)C3(CCOCC3)CC2)cs1.
What is the InChIKey of 1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is VHNDQUCQPDKKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-3-16-19-15(13-25-16)12-17(23)20-7-4-18(5-10-24-11-6-18)21(9-8-20)14(2)22/h13H,3-12H2,1-2H3.
What are the key properties of 1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone?
1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 365.50 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-acetyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 164636963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).