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

C21H18N6O2S — CID 78322434

IUPACN-(6-methoxy-1H-indazol-5-yl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(COCc3ccccc3)nc12
InChIInChI=1S/C21H18N6O2S/c1-28-17-8-15-14(9-24-27-15)7-16(17)25-20-19-21(23-12-22-20)30-18(26-19)11-29-10-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,24,27)(H,22,23,25)
InChIKeyBULRVIAVJLIGCX-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.43
Rot. Bonds7

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

N-(6-methoxy-1H-indazol-5-yl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 78322434) has the molecular formula C21H18N6O2S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-(6-methoxy-1H-indazol-5-yl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(6-methoxy-1H-indazol-5-yl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID78322434
Molecular FormulaC21H18N6O2S
Molecular Weight418.48 g/mol
Exact Mass418.12
IUPAC NameN-(6-methoxy-1H-indazol-5-yl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(COCc3ccccc3)nc12
InChIInChI=1S/C21H18N6O2S/c1-28-17-8-15-14(9-24-27-15)7-16(17)25-20-19-21(23-12-22-20)30-18(26-19)11-29-10-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,24,27)(H,22,23,25)
InChIKeyBULRVIAVJLIGCX-UHFFFAOYSA-N
XLogP4.43
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1H-indazol-5-yl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of N-(6-methoxy-1H-indazol-5-yl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 78322434) is N-(6-methoxy-1H-indazol-5-yl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for N-(6-methoxy-1H-indazol-5-yl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for N-(6-methoxy-1H-indazol-5-yl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is COc1cc2[nH]ncc2cc1Nc1ncnc2sc(COCc3ccccc3)nc12.
What is the InChIKey of N-(6-methoxy-1H-indazol-5-yl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is BULRVIAVJLIGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2S/c1-28-17-8-15-14(9-24-27-15)7-16(17)25-20-19-21(23-12-22-20)30-18(26-19)11-29-10-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,24,27)(H,22,23,25).
What are the key properties of N-(6-methoxy-1H-indazol-5-yl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
N-(6-methoxy-1H-indazol-5-yl)-2-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 418.48 g/mol, XLogP of 4.43, 7 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-(phenylmethoxymethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 78322434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).