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

C21H22FN5O2S — CID 135389990

IUPAC7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCC1(C)CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccc(F)cc21
InChIInChI=1S/C21H22FN5O2S/c1-21(2)10-27(15-4-3-12(22)9-14(15)21)17-16-19(24-11-23-17)30-20(26-16)18(28)25-13-5-7-29-8-6-13/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,25,28)
InChIKeyOZTYLCZYFGFZOX-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.56
Rot. Bonds3

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

7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135389990) has the molecular formula C21H22FN5O2S and a molecular weight of 427.51 g/mol. Its IUPAC name is 7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135389990
Molecular FormulaC21H22FN5O2S
Molecular Weight427.51 g/mol
Exact Mass427.15
IUPAC Name7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCC1(C)CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccc(F)cc21
InChIInChI=1S/C21H22FN5O2S/c1-21(2)10-27(15-4-3-12(22)9-14(15)21)17-16-19(24-11-23-17)30-20(26-16)18(28)25-13-5-7-29-8-6-13/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,25,28)
InChIKeyOZTYLCZYFGFZOX-UHFFFAOYSA-N
XLogP3.56
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135389990) is 7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CC1(C)CN(c2ncnc3sc(C(=O)NC4CCOCC4)nc23)c2ccc(F)cc21.
What is the InChIKey of 7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is OZTYLCZYFGFZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2S/c1-21(2)10-27(15-4-3-12(22)9-14(15)21)17-16-19(24-11-23-17)30-20(26-16)18(28)25-13-5-7-29-8-6-13/h3-4,9,11,13H,5-8,10H2,1-2H3,(H,25,28).
What are the key properties of 7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135389990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).