9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one

C18H27N3O2S — CID 162637758

IUPAC9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(C2CCC(O)CC2)CCCC12CCCN2Cc1nccs1
InChIInChI=1S/C18H27N3O2S/c22-15-5-3-14(4-6-15)21-11-2-8-18(17(21)23)7-1-10-20(18)13-16-19-9-12-24-16/h9,12,14-15,22H,1-8,10-11,13H2
InChIKeyQGRGGTDXNLABNR-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.40
Rot. Bonds3

About 9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one

9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162637758) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162637758
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(C2CCC(O)CC2)CCCC12CCCN2Cc1nccs1
InChIInChI=1S/C18H27N3O2S/c22-15-5-3-14(4-6-15)21-11-2-8-18(17(21)23)7-1-10-20(18)13-16-19-9-12-24-16/h9,12,14-15,22H,1-8,10-11,13H2
InChIKeyQGRGGTDXNLABNR-UHFFFAOYSA-N
XLogP2.40
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162637758) is 9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one is O=C1N(C2CCC(O)CC2)CCCC12CCCN2Cc1nccs1.
What is the InChIKey of 9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is QGRGGTDXNLABNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c22-15-5-3-14(4-6-15)21-11-2-8-18(17(21)23)7-1-10-20(18)13-16-19-9-12-24-16/h9,12,14-15,22H,1-8,10-11,13H2.
What are the key properties of 9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one?
9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 349.50 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxycyclohexyl)-1-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162637758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).