9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane

C18H25N5OS — CID 97450760

IUPAC9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1cnc(N2CCC3(CC2)CN(Cc2csc(C)n2)CCO3)nc1
InChIInChI=1S/C18H25N5OS/c1-14-9-19-17(20-10-14)23-5-3-18(4-6-23)13-22(7-8-24-18)11-16-12-25-15(2)21-16/h9-10,12H,3-8,11,13H2,1-2H3
InChIKeyZIUYPUMRAFATEX-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.42
Rot. Bonds3

About 9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane

9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97450760) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97450760
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCc1cnc(N2CCC3(CC2)CN(Cc2csc(C)n2)CCO3)nc1
InChIInChI=1S/C18H25N5OS/c1-14-9-19-17(20-10-14)23-5-3-18(4-6-23)13-22(7-8-24-18)11-16-12-25-15(2)21-16/h9-10,12H,3-8,11,13H2,1-2H3
InChIKeyZIUYPUMRAFATEX-UHFFFAOYSA-N
XLogP2.42
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Tert-butyl 4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-yl]oxypiperidine-1-carboxylate
CID 16662192
2-(1-Ethoxyethyl)-4-[[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 84590359
11-[(2-Methyl-1,3-thiazol-4-yl)methyl]-3-pyrimidin-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecane
CID 97502637
(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510720
3,3-Dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 47395140
2,2-Dimethyl-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 56814965
N,N-dimethyl-1-[(2S)-4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 95332211
4-Methyl-2-[[4-(5-methylpyrimidin-2-yl)oxypiperidin-1-yl]methyl]-1,3-thiazole
CID 136551051
5-fluoro-4-morpholin-4-yl-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidin-2-amine
CID 50966327
4-(5-Fluoropyrimidin-2-yl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97372292
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-9-[4-(trifluoromethyl)pyrimidin-2-yl]-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396347
9-(5-Fluoropyrimidin-2-yl)-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450808

Frequently Asked Questions

What is the IUPAC name of 9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97450760) is 9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane is Cc1cnc(N2CCC3(CC2)CN(Cc2csc(C)n2)CCO3)nc1.
What is the InChIKey of 9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is ZIUYPUMRAFATEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-14-9-19-17(20-10-14)23-5-3-18(4-6-23)13-22(7-8-24-18)11-16-12-25-15(2)21-16/h9-10,12H,3-8,11,13H2,1-2H3.
What are the key properties of 9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 359.50 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methylpyrimidin-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97450760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).