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

C20H21N5O3S — CID 135390312

IUPAC7-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1nc2c(N3CC(CO)c4ccccc43)ncnc2s1
InChIInChI=1S/C20H21N5O3S/c26-10-12-9-25(15-4-2-1-3-14(12)15)17-16-19(22-11-21-17)29-20(24-16)18(27)23-13-5-7-28-8-6-13/h1-4,11-13,26H,5-10H2,(H,23,27)
InChIKeyVZYAAEWBUOQKGI-UHFFFAOYSA-N
MW411.49 g/mol
LogP2.22
Rot. Bonds4

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

7-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135390312) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is 7-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135390312
Molecular FormulaC20H21N5O3S
Molecular Weight411.49 g/mol
Exact Mass411.14
IUPAC Name7-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NC1CCOCC1)c1nc2c(N3CC(CO)c4ccccc43)ncnc2s1
InChIInChI=1S/C20H21N5O3S/c26-10-12-9-25(15-4-2-1-3-14(12)15)17-16-19(22-11-21-17)29-20(24-16)18(27)23-13-5-7-28-8-6-13/h1-4,11-13,26H,5-10H2,(H,23,27)
InChIKeyVZYAAEWBUOQKGI-UHFFFAOYSA-N
XLogP2.22
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.49
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135390312) is 7-[3-(hydroxymethyl)-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-(hydroxymethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is O=C(NC1CCOCC1)c1nc2c(N3CC(CO)c4ccccc43)ncnc2s1.
What is the InChIKey of 7-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is VZYAAEWBUOQKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3S/c26-10-12-9-25(15-4-2-1-3-14(12)15)17-16-19(22-11-21-17)29-20(24-16)18(27)23-13-5-7-28-8-6-13/h1-4,11-13,26H,5-10H2,(H,23,27).
What are the key properties of 7-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 411.49 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135390312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).