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

C17H21N5OS — CID 97493862

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2C(=O)CCC23CCN(c2ncccn2)CC3)cs1
InChIInChI=1S/C17H21N5OS/c1-13-20-14(12-24-13)11-22-15(23)3-4-17(22)5-9-21(10-6-17)16-18-7-2-8-19-16/h2,7-8,12H,3-6,9-11H2,1H3
InChIKeyYPCBLUOXLWSHDR-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.40
Rot. Bonds3

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

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493862) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493862
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1nc(CN2C(=O)CCC23CCN(c2ncccn2)CC3)cs1
InChIInChI=1S/C17H21N5OS/c1-13-20-14(12-24-13)11-22-15(23)3-4-17(22)5-9-21(10-6-17)16-18-7-2-8-19-16/h2,7-8,12H,3-6,9-11H2,1H3
InChIKeyYPCBLUOXLWSHDR-UHFFFAOYSA-N
XLogP2.40
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methyl-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 56814818
N-[1-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 47053761
1-(3-Ethylpiperidin-1-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
CID 51090378
1-[(2-Pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 53507774
1-[4-(Dimethylamino)piperidin-1-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
CID 53545528
3-Methyl-1-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 56796745
1-[4-(4-Methyl-1,3-thiazol-2-yl)piperazin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 56815620
(4-Cyclopentylpiperazin-1-yl)-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 56816481
1-(4-Pyrimidin-2-ylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 71684310
[3-(4-Propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 72122399
[3-(4-Ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 72122414
(3aR,6aS)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrimidin-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507632

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97493862) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one is Cc1nc(CN2C(=O)CCC23CCN(c2ncccn2)CC3)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is YPCBLUOXLWSHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-13-20-14(12-24-13)11-22-15(23)3-4-17(22)5-9-21(10-6-17)16-18-7-2-8-19-16/h2,7-8,12H,3-6,9-11H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 343.46 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).