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

C20H16N6OS — CID 78321821

IUPAC2-benzyl-N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(Cc3ccccc3)nc12
InChIInChI=1S/C20H16N6OS/c1-27-16-9-14-13(10-23-26-14)8-15(16)24-19-18-20(22-11-21-19)28-17(25-18)7-12-5-3-2-4-6-12/h2-6,8-11H,7H2,1H3,(H,23,26)(H,21,22,24)
InChIKeyYVRHMSDAWKCNBE-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.31
Rot. Bonds5

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

2-benzyl-N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 78321821) has the molecular formula C20H16N6OS and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-benzyl-N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-benzyl-N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID78321821
Molecular FormulaC20H16N6OS
Molecular Weight388.46 g/mol
Exact Mass388.11
IUPAC Name2-benzyl-N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(Cc3ccccc3)nc12
InChIInChI=1S/C20H16N6OS/c1-27-16-9-14-13(10-23-26-14)8-15(16)24-19-18-20(22-11-21-19)28-17(25-18)7-12-5-3-2-4-6-12/h2-6,8-11H,7H2,1H3,(H,23,26)(H,21,22,24)
InChIKeyYVRHMSDAWKCNBE-UHFFFAOYSA-N
XLogP4.31
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-benzyl-N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 78321821) is 2-benzyl-N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-benzyl-N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-benzyl-N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is COc1cc2[nH]ncc2cc1Nc1ncnc2sc(Cc3ccccc3)nc12.
What is the InChIKey of 2-benzyl-N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is YVRHMSDAWKCNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6OS/c1-27-16-9-14-13(10-23-26-14)8-15(16)24-19-18-20(22-11-21-19)28-17(25-18)7-12-5-3-2-4-6-12/h2-6,8-11H,7H2,1H3,(H,23,26)(H,21,22,24).
What are the key properties of 2-benzyl-N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-benzyl-N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 388.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 78321821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).