7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C22H25N5O3S — CID 135390494

IUPAC7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCC1(CCO)CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21
InChIInChI=1S/C22H25N5O3S/c1-22(8-9-28)12-27(16-5-3-2-4-15(16)22)18-17-20(24-13-23-18)31-21(26-17)19(29)25-14-6-10-30-11-7-14/h2-5,13-14,28H,6-12H2,1H3,(H,25,29)
InChIKeyDFTJDLVMRFGWCK-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.79
Rot. Bonds5

About 7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135390494) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135390494
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCC1(CCO)CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21
InChIInChI=1S/C22H25N5O3S/c1-22(8-9-28)12-27(16-5-3-2-4-15(16)22)18-17-20(24-13-23-18)31-21(26-17)19(29)25-14-6-10-30-11-7-14/h2-5,13-14,28H,6-12H2,1H3,(H,25,29)
InChIKeyDFTJDLVMRFGWCK-UHFFFAOYSA-N
XLogP2.79
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135390494) is 7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CC1(CCO)CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccccc21.
What is the InChIKey of 7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is DFTJDLVMRFGWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-22(8-9-28)12-27(16-5-3-2-4-15(16)22)18-17-20(24-13-23-18)31-21(26-17)19(29)25-14-6-10-30-11-7-14/h2-5,13-14,28H,6-12H2,1H3,(H,25,29).
What are the key properties of 7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-hydroxyethyl)-3-methyl-2H-indol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135390494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).