[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone

C16H19N5OS — CID 110139371

IUPAC[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone
SMILESCN(c1ccncn1)C1CC2(CCN(C(=O)c3cncs3)C2)C1
InChIInChI=1S/C16H19N5OS/c1-20(14-2-4-17-10-19-14)12-6-16(7-12)3-5-21(9-16)15(22)13-8-18-11-23-13/h2,4,8,10-12H,3,5-7,9H2,1H3
InChIKeyQCSAIOQNBOCVOX-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.06
Rot. Bonds3

About [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone

[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 110139371) has the molecular formula C16H19N5OS and a molecular weight of 329.43 g/mol. Its IUPAC name is [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID110139371
Molecular FormulaC16H19N5OS
Molecular Weight329.43 g/mol
Exact Mass329.13
IUPAC Name[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone
SMILESCN(c1ccncn1)C1CC2(CCN(C(=O)c3cncs3)C2)C1
InChIInChI=1S/C16H19N5OS/c1-20(14-2-4-17-10-19-14)12-6-16(7-12)3-5-21(9-16)15(22)13-8-18-11-23-13/h2,4,8,10-12H,3,5-7,9H2,1H3
InChIKeyQCSAIOQNBOCVOX-UHFFFAOYSA-N
XLogP2.06
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone (CID 110139371) is [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone is CN(c1ccncn1)C1CC2(CCN(C(=O)c3cncs3)C2)C1.
What is the InChIKey of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is QCSAIOQNBOCVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS/c1-20(14-2-4-17-10-19-14)12-6-16(7-12)3-5-21(9-16)15(22)13-8-18-11-23-13/h2,4,8,10-12H,3,5-7,9H2,1H3.
What are the key properties of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone?
[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 329.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110139371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).