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

C20H21N5O2S — CID 135390038

IUPAC7-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCC1Cc2ccccc2N1c1ncnc2sc(C(=O)NC3CCOCC3)nc12
InChIInChI=1S/C20H21N5O2S/c1-12-10-13-4-2-3-5-15(13)25(12)17-16-19(22-11-21-17)28-20(24-16)18(26)23-14-6-8-27-9-7-14/h2-5,11-12,14H,6-10H2,1H3,(H,23,26)
InChIKeyUTBPNSRXYCTZQL-UHFFFAOYSA-N
MW395.49 g/mol
LogP3.08
Rot. Bonds3

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

7-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 135390038) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 7-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID135390038
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name7-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCC1Cc2ccccc2N1c1ncnc2sc(C(=O)NC3CCOCC3)nc12
InChIInChI=1S/C20H21N5O2S/c1-12-10-13-4-2-3-5-15(13)25(12)17-16-19(22-11-21-17)28-20(24-16)18(26)23-14-6-8-27-9-7-14/h2-5,11-12,14H,6-10H2,1H3,(H,23,26)
InChIKeyUTBPNSRXYCTZQL-UHFFFAOYSA-N
XLogP3.08
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
N-cyclopropyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109339394
N-cycloheptyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574692
N-cycloheptyl-5-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carboxamide
CID 109287538
N-cycloheptyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109125067
5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 70669437
N-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]oxane-4-carboxamide
CID 113050717
4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 79910439
7-(2,4-dimethylanilino)-N-(1-methylpiperidin-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 166944381
N-(4-fluorophenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84574636
N-ethyl-5-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 80753978
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carbaldehyde
CID 66336040

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 135390038) is 7-(2-methyl-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-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CC1Cc2ccccc2N1c1ncnc2sc(C(=O)NC3CCOCC3)nc12.
What is the InChIKey of 7-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is UTBPNSRXYCTZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-12-10-13-4-2-3-5-15(13)25(12)17-16-19(22-11-21-17)28-20(24-16)18(26)23-14-6-8-27-9-7-14/h2-5,11-12,14H,6-10H2,1H3,(H,23,26).
What are the key properties of 7-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 395.49 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 135390038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).