8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one

C17H19N5O2S — CID 131686788

IUPAC8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1nc(C(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)cs1
InChIInChI=1S/C17H19N5O2S/c1-12-20-14(10-25-12)15(23)21-5-2-17(3-6-21)4-7-22(16(17)24)13-8-18-11-19-9-13/h8-11H,2-7H2,1H3
InChIKeyJBSQNAQDGDVRSE-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.90
Rot. Bonds2

About 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one

8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 131686788) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID131686788
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1nc(C(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)cs1
InChIInChI=1S/C17H19N5O2S/c1-12-20-14(10-25-12)15(23)21-5-2-17(3-6-21)4-7-22(16(17)24)13-8-18-11-19-9-13/h8-11H,2-7H2,1H3
InChIKeyJBSQNAQDGDVRSE-UHFFFAOYSA-N
XLogP1.90
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98895841
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80707453
8-(4-fluorobenzoyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 97449899
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]ethanone
CID 47445163
8-(2-methyl-1,3-thiazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47445313
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
8-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688528
1-[4-(2-methyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110645973
(4-aminopiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 65199009
2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131681877
8-(2-pyridin-2-ylacetyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131688476
2-[3-methoxy-4-(1H-pyrazol-4-yl)phenyl]-8-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 142585170

Frequently Asked Questions

What is the IUPAC name of 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one (CID 131686788) is 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one is Cc1nc(C(=O)N2CCC3(CC2)CCN(c2cncnc2)C3=O)cs1.
What is the InChIKey of 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JBSQNAQDGDVRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-12-20-14(10-25-12)15(23)21-5-2-17(3-6-21)4-7-22(16(17)24)13-8-18-11-19-9-13/h8-11H,2-7H2,1H3.
What are the key properties of 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one?
8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 357.44 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131686788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).