2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H29N3O2S — CID 70775312

IUPAC2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3cscn3)CC2)CN1C1CCC(O)CC1
InChIInChI=1S/C19H29N3O2S/c23-17-3-1-16(2-4-17)22-13-19(6-5-18(22)24)7-9-21(10-8-19)11-15-12-25-14-20-15/h12,14,16-17,23H,1-11,13H2
InChIKeyXONZBRPFAUMZCH-UHFFFAOYSA-N
MW363.53 g/mol
LogP2.65
Rot. Bonds3

About 2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70775312) has the molecular formula C19H29N3O2S and a molecular weight of 363.53 g/mol. Its IUPAC name is 2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70775312
Molecular FormulaC19H29N3O2S
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Name2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3cscn3)CC2)CN1C1CCC(O)CC1
InChIInChI=1S/C19H29N3O2S/c23-17-3-1-16(2-4-17)22-13-19(6-5-18(22)24)7-9-21(10-8-19)11-15-12-25-14-20-15/h12,14,16-17,23H,1-11,13H2
InChIKeyXONZBRPFAUMZCH-UHFFFAOYSA-N
XLogP2.65
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Hydroxypropyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70756512
2-Ethyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70767551
2-(Tetrahydro-2-furanylmethyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 86283146
2-(trans-4-Hydroxycyclohexyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70711447
9-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70739389
2-(3-Hydroxypropyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70741544
2-(trans-4-Hydroxycyclohexyl)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70748290
2-Allyl-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70763691
2-(2-Hydroxypropyl)-9-(1,3-thiazol-4-ylcarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72885597
2-[[(2S)-oxolan-2-yl]methyl]-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97122311
2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97122312
2-[(2S)-2-hydroxypropyl]-9-(1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97130534

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70775312) is 2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(Cc3cscn3)CC2)CN1C1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XONZBRPFAUMZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2S/c23-17-3-1-16(2-4-17)22-13-19(6-5-18(22)24)7-9-21(10-8-19)11-15-12-25-14-20-15/h12,14,16-17,23H,1-11,13H2.
What are the key properties of 2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 363.53 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxycyclohexyl)-9-(1,3-thiazol-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70775312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).