9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one

C18H23N5OS — CID 118746354

IUPAC9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(N2CCCC3(CCN(Cc4csc(C)n4)C3=O)C2)nc1
InChIInChI=1S/C18H23N5OS/c1-13-8-19-17(20-9-13)23-6-3-4-18(12-23)5-7-22(16(18)24)10-15-11-25-14(2)21-15/h8-9,11H,3-7,10,12H2,1-2H3
InChIKeyQFLBTMDTRQSSOH-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.57
Rot. Bonds3

About 9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one

9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118746354) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is 9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118746354
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC Name9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(N2CCCC3(CCN(Cc4csc(C)n4)C3=O)C2)nc1
InChIInChI=1S/C18H23N5OS/c1-13-8-19-17(20-9-13)23-6-3-4-18(12-23)5-7-22(16(18)24)10-15-11-25-14(2)21-15/h8-9,11H,3-7,10,12H2,1-2H3
InChIKeyQFLBTMDTRQSSOH-UHFFFAOYSA-N
XLogP2.57
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-Ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
CID 51090378
3-Methyl-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 56796745
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97493862
(3aR,6aS)-2-(5-ethylpyrimidin-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507619
(3aR,6aS)-2-(5-methylpyrimidin-2-yl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507649
2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 118743886
7-(5-Methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 118743896
7-(5-Ethylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 118743898
7-(5-Fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 118744298
7-(5-Fluoropyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 118744305
7-(5-Methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 118744539
1-ethyl-6-oxo-N-{[2-(2-pyrimidinyl)-1,3-thiazol-4-yl]methyl}-3-piperidinecarboxamide
CID 70710636

Frequently Asked Questions

What is the IUPAC name of 9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one (CID 118746354) is 9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one is Cc1cnc(N2CCCC3(CCN(Cc4csc(C)n4)C3=O)C2)nc1.
What is the InChIKey of 9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is QFLBTMDTRQSSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-13-8-19-17(20-9-13)23-6-3-4-18(12-23)5-7-22(16(18)24)10-15-11-25-14(2)21-15/h8-9,11H,3-7,10,12H2,1-2H3.
What are the key properties of 9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 357.48 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-methylpyrimidin-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118746354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).