N-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C15H14N6O2S — CID 78322124

IUPACN-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOCc1nc2c(Nc3cc4cn[nH]c4cc3OC)ncnc2s1
InChIInChI=1S/C15H14N6O2S/c1-22-6-12-20-13-14(16-7-17-15(13)24-12)19-10-3-8-5-18-21-9(8)4-11(10)23-2/h3-5,7H,6H2,1-2H3,(H,18,21)(H,16,17,19)
InChIKeyNABFBTGSEDBUJN-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.86
Rot. Bonds5

About N-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

N-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 78322124) has the molecular formula C15H14N6O2S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID78322124
Molecular FormulaC15H14N6O2S
Molecular Weight342.38 g/mol
Exact Mass342.09
IUPAC NameN-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOCc1nc2c(Nc3cc4cn[nH]c4cc3OC)ncnc2s1
InChIInChI=1S/C15H14N6O2S/c1-22-6-12-20-13-14(16-7-17-15(13)24-12)19-10-3-8-5-18-21-9(8)4-11(10)23-2/h3-5,7H,6H2,1-2H3,(H,18,21)(H,16,17,19)
InChIKeyNABFBTGSEDBUJN-UHFFFAOYSA-N
XLogP2.86
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 78322124) is N-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is COCc1nc2c(Nc3cc4cn[nH]c4cc3OC)ncnc2s1.
What is the InChIKey of N-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is NABFBTGSEDBUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2S/c1-22-6-12-20-13-14(16-7-17-15(13)24-12)19-10-3-8-5-18-21-9(8)4-11(10)23-2/h3-5,7H,6H2,1-2H3,(H,18,21)(H,16,17,19).
What are the key properties of N-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 342.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1H-indazol-5-yl)-2-(methoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 78322124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).