7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C22H26N6O2S — CID 135390320

IUPAC7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCNCCC1CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21
InChIInChI=1S/C22H26N6O2S/c1-23-9-6-14-12-28(17-5-3-2-4-16(14)17)19-18-21(25-13-24-19)31-22(27-18)20(29)26-15-7-10-30-11-8-15/h2-5,13-15,23H,6-12H2,1H3,(H,26,29)
InChIKeyZAHKDQHLTSRGGT-UHFFFAOYSA-N
MW438.56 g/mol
LogP2.84
Rot. Bonds6

About 7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135390320) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135390320
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCNCCC1CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21
InChIInChI=1S/C22H26N6O2S/c1-23-9-6-14-12-28(17-5-3-2-4-16(14)17)19-18-21(25-13-24-19)31-22(27-18)20(29)26-15-7-10-30-11-8-15/h2-5,13-15,23H,6-12H2,1H3,(H,26,29)
InChIKeyZAHKDQHLTSRGGT-UHFFFAOYSA-N
XLogP2.84
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135390320) is 7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CNCCC1CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21.
What is the InChIKey of 7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is ZAHKDQHLTSRGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-23-9-6-14-12-28(17-5-3-2-4-16(14)17)19-18-21(25-13-24-19)31-22(27-18)20(29)26-15-7-10-30-11-8-15/h2-5,13-15,23H,6-12H2,1H3,(H,26,29).
What are the key properties of 7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 438.56 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135390320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).