N-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine

C13H13N5OS2 — CID 123503726

IUPACN-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOCc1cc(Nc2nc3cccnc3s2)nc(SC)n1
InChIInChI=1S/C13H13N5OS2/c1-19-7-8-6-10(17-12(15-8)20-2)18-13-16-9-4-3-5-14-11(9)21-13/h3-6H,7H2,1-2H3,(H,15,16,17,18)
InChIKeySUZPKPKVRBRCCO-UHFFFAOYSA-N
MW319.42 g/mol
LogP3.09
Rot. Bonds5

About N-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine

N-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (PubChem CID 123503726) has the molecular formula C13H13N5OS2 and a molecular weight of 319.42 g/mol. Its IUPAC name is N-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.

Molecular Properties

Compound NameN-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
PubChem CID123503726
Molecular FormulaC13H13N5OS2
Molecular Weight319.42 g/mol
Exact Mass319.06
IUPAC NameN-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
SMILESCOCc1cc(Nc2nc3cccnc3s2)nc(SC)n1
InChIInChI=1S/C13H13N5OS2/c1-19-7-8-6-10(17-12(15-8)20-2)18-13-16-9-4-3-5-14-11(9)21-13/h3-6H,7H2,1-2H3,(H,15,16,17,18)
InChIKeySUZPKPKVRBRCCO-UHFFFAOYSA-N
XLogP3.09
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The IUPAC name of N-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine (CID 123503726) is N-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine.
What is the SMILES notation for N-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The canonical SMILES for N-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is COCc1cc(Nc2nc3cccnc3s2)nc(SC)n1.
What is the InChIKey of N-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
The InChIKey is SUZPKPKVRBRCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS2/c1-19-7-8-6-10(17-12(15-8)20-2)18-13-16-9-4-3-5-14-11(9)21-13/h3-6H,7H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine?
N-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine has a molecular weight of 319.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(methoxymethyl)-2-methylsulfanylpyrimidin-4-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine is sourced from PubChem (CID 123503726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).