(2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone

C14H20N2O2S — CID 72855247

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCCC3(CCOC3)C2)s1
InChIInChI=1S/C14H20N2O2S/c1-10-12(19-11(2)15-10)13(17)16-6-3-4-14(8-16)5-7-18-9-14/h3-9H2,1-2H3
InChIKeyFZNZPUCUWJGPRM-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.40
Rot. Bonds1

About (2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 72855247) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID72855247
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCCC3(CCOC3)C2)s1
InChIInChI=1S/C14H20N2O2S/c1-10-12(19-11(2)15-10)13(17)16-6-3-4-14(8-16)5-7-18-9-14/h3-9H2,1-2H3
InChIKeyFZNZPUCUWJGPRM-UHFFFAOYSA-N
XLogP2.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 72855247) is (2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone is Cc1nc(C)c(C(=O)N2CCCC3(CCOC3)C2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is FZNZPUCUWJGPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-10-12(19-11(2)15-10)13(17)16-6-3-4-14(8-16)5-7-18-9-14/h3-9H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 280.39 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-(2-oxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 72855247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).