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

C13H10N6OS — CID 78322430

IUPACN-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2scnc12
InChIInChI=1S/C13H10N6OS/c1-20-10-3-8-7(4-17-19-8)2-9(10)18-12-11-13(15-5-14-12)21-6-16-11/h2-6H,1H3,(H,17,19)(H,14,15,18)
InChIKeySYJNMKWDALZJGZ-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.71
Rot. Bonds3

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

N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 78322430) has the molecular formula C13H10N6OS and a molecular weight of 298.33 g/mol. Its IUPAC name is N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID78322430
Molecular FormulaC13H10N6OS
Molecular Weight298.33 g/mol
Exact Mass298.06
IUPAC NameN-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2scnc12
InChIInChI=1S/C13H10N6OS/c1-20-10-3-8-7(4-17-19-8)2-9(10)18-12-11-13(15-5-14-12)21-6-16-11/h2-6H,1H3,(H,17,19)(H,14,15,18)
InChIKeySYJNMKWDALZJGZ-UHFFFAOYSA-N
XLogP2.71
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 78322430) is N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is COc1cc2[nH]ncc2cc1Nc1ncnc2scnc12.
What is the InChIKey of N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is SYJNMKWDALZJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6OS/c1-20-10-3-8-7(4-17-19-8)2-9(10)18-12-11-13(15-5-14-12)21-6-16-11/h2-6H,1H3,(H,17,19)(H,14,15,18).
What are the key properties of N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 298.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1H-indazol-5-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 78322430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).