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

C17H24N4OS2 — CID 97396340

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCOCC23CCN(Cc2nccs2)CC3)cs1
InChIInChI=1S/C17H24N4OS2/c1-14-19-15(12-24-14)10-21-7-8-22-13-17(21)2-5-20(6-3-17)11-16-18-4-9-23-16/h4,9,12H,2-3,5-8,10-11,13H2,1H3
InChIKeyGJOUGVWUUNXLSI-UHFFFAOYSA-N
MW364.54 g/mol
LogP2.78
Rot. Bonds4

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

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396340) has the molecular formula C17H24N4OS2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396340
Molecular FormulaC17H24N4OS2
Molecular Weight364.54 g/mol
Exact Mass364.14
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCc1nc(CN2CCOCC23CCN(Cc2nccs2)CC3)cs1
InChIInChI=1S/C17H24N4OS2/c1-14-19-15(12-24-14)10-21-7-8-22-13-17(21)2-5-20(6-3-17)11-16-18-4-9-23-16/h4,9,12H,2-3,5-8,10-11,13H2,1H3
InChIKeyGJOUGVWUUNXLSI-UHFFFAOYSA-N
XLogP2.78
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2-Methyl-1,3-thiazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739410
5-Methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118744212
1-Methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396370
9-(2-Methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97491901
9-[(2-Methyl-1,3-thiazol-4-yl)methyl]-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372264
(5R)-5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384814
(5S)-5-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384815
(5R)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384958
(5S)-10-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(1,3-thiazol-2-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384959
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-9-(thiadiazol-4-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396343
2-Methyl-4-[[3-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
CID 97415960
(6R)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492285

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396340) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is Cc1nc(CN2CCOCC23CCN(Cc2nccs2)CC3)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is GJOUGVWUUNXLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS2/c1-14-19-15(12-24-14)10-21-7-8-22-13-17(21)2-5-20(6-3-17)11-16-18-4-9-23-16/h4,9,12H,2-3,5-8,10-11,13H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 364.54 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1,3-thiazol-2-ylmethyl)-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).