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

C18H29N3OS — CID 97409235

IUPAC9-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCOCC23CCN(CC2CCC2)CC3)cs1
InChIInChI=1S/C18H29N3OS/c1-15-19-17(13-23-15)12-21-9-10-22-14-18(21)5-7-20(8-6-18)11-16-3-2-4-16/h13,16H,2-12,14H2,1H3
InChIKeyHTFXZBNZJYYLKI-UHFFFAOYSA-N
MW335.52 g/mol
LogP2.92
Rot. Bonds4

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

9-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97409235) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is 9-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97409235
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name9-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCOCC23CCN(CC2CCC2)CC3)cs1
InChIInChI=1S/C18H29N3OS/c1-15-19-17(13-23-15)12-21-9-10-22-14-18(21)5-7-20(8-6-18)11-16-3-2-4-16/h13,16H,2-12,14H2,1H3
InChIKeyHTFXZBNZJYYLKI-UHFFFAOYSA-N
XLogP2.92
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-Propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 51086508
1-[4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 56781129
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 77079650
(1-Fluorocyclobutyl)-[8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 131685226
1-(Cyclopropylmethyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155850766
9-(2-Methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane;bis(2,2,2-trifluoroacetic acid)
CID 155851390
4-{1-[(4-Isopropyl-1,3-thiazol-2-yl)methyl]-3-piperidinyl}morpholine
CID 45169420
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396349
1-Methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396370
2-Methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-2-ol
CID 97409237
9-(2-Methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97491901
1-Methylsulfonyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97491917

Frequently Asked Questions

What is the IUPAC name of 9-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97409235) is 9-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane is Cc1nc(CN2CCOCC23CCN(CC2CCC2)CC3)cs1.
What is the InChIKey of 9-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is HTFXZBNZJYYLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-15-19-17(13-23-15)12-21-9-10-22-14-18(21)5-7-20(8-6-18)11-16-3-2-4-16/h13,16H,2-12,14H2,1H3.
What are the key properties of 9-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane?
9-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 335.52 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclobutylmethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97409235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).