8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione

C16H14N6O2S — CID 135259019

IUPAC8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
SMILESCc1cc(Nc2ncnc3scnc23)c(=O)n2c1C(=O)NC21CCC1
InChIInChI=1S/C16H14N6O2S/c1-8-5-9(20-12-10-14(18-6-17-12)25-7-19-10)15(24)22-11(8)13(23)21-16(22)3-2-4-16/h5-7H,2-4H2,1H3,(H,21,23)(H,17,18,20)
InChIKeyCUILWGZUTAADRD-UHFFFAOYSA-N
MW354.40 g/mol
LogP1.88
Rot. Bonds2

About 8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione

8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione (PubChem CID 135259019) has the molecular formula C16H14N6O2S and a molecular weight of 354.40 g/mol. Its IUPAC name is 8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione.

Molecular Properties

Compound Name8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
PubChem CID135259019
Molecular FormulaC16H14N6O2S
Molecular Weight354.40 g/mol
Exact Mass354.09
IUPAC Name8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione
SMILESCc1cc(Nc2ncnc3scnc23)c(=O)n2c1C(=O)NC21CCC1
InChIInChI=1S/C16H14N6O2S/c1-8-5-9(20-12-10-14(18-6-17-12)25-7-19-10)15(24)22-11(8)13(23)21-16(22)3-2-4-16/h5-7H,2-4H2,1H3,(H,21,23)(H,17,18,20)
InChIKeyCUILWGZUTAADRD-UHFFFAOYSA-N
XLogP1.88
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione?
The IUPAC name of 8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione (CID 135259019) is 8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione.
What is the SMILES notation for 8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione?
The canonical SMILES for 8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione is Cc1cc(Nc2ncnc3scnc23)c(=O)n2c1C(=O)NC21CCC1.
What is the InChIKey of 8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione?
The InChIKey is CUILWGZUTAADRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2S/c1-8-5-9(20-12-10-14(18-6-17-12)25-7-19-10)15(24)22-11(8)13(23)21-16(22)3-2-4-16/h5-7H,2-4H2,1H3,(H,21,23)(H,17,18,20).
What are the key properties of 8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione?
8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione has a molecular weight of 354.40 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-([1,3]thiazolo[5,4-d]pyrimidin-7-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclobutane]-1,5-dione is sourced from PubChem (CID 135259019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).