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

C16H20N6OS — CID 162351870

IUPAC8-[5-methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(Nc2nccs2)nc1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C16H20N6OS/c1-11-10-19-14(21-15-18-6-9-24-15)20-12(11)22-7-3-16(4-8-22)2-5-17-13(16)23/h6,9-10H,2-5,7-8H2,1H3,(H,17,23)(H,18,19,20,21)
InChIKeyBZDDMJSVJIWUNG-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.09
Rot. Bonds3

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

8-[5-methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 162351870) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 8-[5-methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[5-methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID162351870
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name8-[5-methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cnc(Nc2nccs2)nc1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C16H20N6OS/c1-11-10-19-14(21-15-18-6-9-24-15)20-12(11)22-7-3-16(4-8-22)2-5-17-13(16)23/h6,9-10H,2-5,7-8H2,1H3,(H,17,23)(H,18,19,20,21)
InChIKeyBZDDMJSVJIWUNG-UHFFFAOYSA-N
XLogP2.09
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[5-methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

N-[5-[[3-(5-methylsulfanylpyrimidin-2-yl)-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146415222
N-[5-[[4-[2-(2-methylpyrimidin-5-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377634
N-[5-[[4-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethynyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 177377640
N-[5-[[(3S)-3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491291
N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]-3-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139500285
1-(5-ethylpyrimidin-2-yl)-3-fluoro-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171334243
3-fluoro-1-(5-methylpyrimidin-2-yl)-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 171337722
2-((4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide
CID 71802619
2-(1-pyrimidin-2-ylpiperidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 95826635
(6S)-13-(ethylamino)-8-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one
CID 67348788
13-(Ethylamino)-8-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-9-one
CID 77271160
N-propan-2-yl-2-[[1-[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]amino]acetamide
CID 87905749

Frequently Asked Questions

What is the IUPAC name of 8-[5-methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[5-methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one (CID 162351870) is 8-[5-methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[5-methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[5-methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one is Cc1cnc(Nc2nccs2)nc1N1CCC2(CCNC2=O)CC1.
What is the InChIKey of 8-[5-methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is BZDDMJSVJIWUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-11-10-19-14(21-15-18-6-9-24-15)20-12(11)22-7-3-16(4-8-22)2-5-17-13(16)23/h6,9-10H,2-5,7-8H2,1H3,(H,17,23)(H,18,19,20,21).
What are the key properties of 8-[5-methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one?
8-[5-methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 344.44 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-methyl-2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 162351870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).