3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine

C20H16N6OS — CID 171505105

IUPAC3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc(OCCc2c[nH]c3ccccc23)c2ncsc2n1
InChIInChI=1S/C20H16N6OS/c21-17-14(5-3-8-22-17)18-25-19(16-20(26-18)28-11-24-16)27-9-7-12-10-23-15-6-2-1-4-13(12)15/h1-6,8,10-11,23H,7,9H2,(H2,21,22)
InChIKeyMWYYLCDMBMSPSJ-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.83
Rot. Bonds5

About 3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine

3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine (PubChem CID 171505105) has the molecular formula C20H16N6OS and a molecular weight of 388.46 g/mol. Its IUPAC name is 3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine
PubChem CID171505105
Molecular FormulaC20H16N6OS
Molecular Weight388.46 g/mol
Exact Mass388.11
IUPAC Name3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1nc(OCCc2c[nH]c3ccccc23)c2ncsc2n1
InChIInChI=1S/C20H16N6OS/c21-17-14(5-3-8-22-17)18-25-19(16-20(26-18)28-11-24-16)27-9-7-12-10-23-15-6-2-1-4-13(12)15/h1-6,8,10-11,23H,7,9H2,(H2,21,22)
InChIKeyMWYYLCDMBMSPSJ-UHFFFAOYSA-N
XLogP3.83
TPSA102.60 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 ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine with MolForge

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Related Compounds

2-(1H-indol-3-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 59506885
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CID 19005702
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-(1H-indol-3-yl)propylazanium chloride
CID 28988
2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine
CID 54050405
3-[2-(methoxymethoxy)ethyl]-1H-indole
CID 15147146
N-[2-(1H-indol-3-yl)ethyl]-2-quinolin-8-ylacetamide
CID 51320623
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
9-[2-(1H-indol-3-yl)ethyl]purin-6-amine
CID 91300880
2-[[2-(1H-indol-3-yl)ethylamino]methyl]thiophen-3-amine
CID 66387708
N-[2-(1H-indol-3-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581080
2-amino-6-(furan-2-yl)-5-[6-[2-(1H-indol-3-yl)ethoxy]-3-pyridinyl]pyridine-3-carbonitrile
CID 12992147

Frequently Asked Questions

What is the IUPAC name of 3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine?
The IUPAC name of 3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine (CID 171505105) is 3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine is Nc1ncccc1-c1nc(OCCc2c[nH]c3ccccc23)c2ncsc2n1.
What is the InChIKey of 3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine?
The InChIKey is MWYYLCDMBMSPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6OS/c21-17-14(5-3-8-22-17)18-25-19(16-20(26-18)28-11-24-16)27-9-7-12-10-23-15-6-2-1-4-13(12)15/h1-6,8,10-11,23H,7,9H2,(H2,21,22).
What are the key properties of 3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine?
3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine has a molecular weight of 388.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[2-(1H-indol-3-yl)ethoxy]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]pyridin-2-amine is sourced from PubChem (CID 171505105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).