1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane

C14H23N3OS — CID 97396370

IUPAC1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCC3(CC2)COCCN3C)cs1
InChIInChI=1S/C14H23N3OS/c1-12-15-13(10-19-12)9-17-5-3-14(4-6-17)11-18-8-7-16(14)2/h10H,3-9,11H2,1-2H3
InChIKeyMOTYFWZVFXDBPM-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.75
Rot. Bonds2

About 1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane

1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396370) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396370
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCC3(CC2)COCCN3C)cs1
InChIInChI=1S/C14H23N3OS/c1-12-15-13(10-19-12)9-17-5-3-14(4-6-17)11-18-8-7-16(14)2/h10H,3-9,11H2,1-2H3
InChIKeyMOTYFWZVFXDBPM-UHFFFAOYSA-N
XLogP1.75
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396370) is 1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane is Cc1nc(CN2CCC3(CC2)COCCN3C)cs1.
What is the InChIKey of 1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is MOTYFWZVFXDBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-12-15-13(10-19-12)9-17-5-3-14(4-6-17)11-18-8-7-16(14)2/h10H,3-9,11H2,1-2H3.
What are the key properties of 1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 281.42 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).