2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide

C22H24N4O2S — CID 56562435

IUPAC2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
SMILESCC1Cc2ccccc2N1Cc1occc1C(=O)Nc1nc2c(s1)CN(C)CC2
InChIInChI=1S/C22H24N4O2S/c1-14-11-15-5-3-4-6-18(15)26(14)12-19-16(8-10-28-19)21(27)24-22-23-17-7-9-25(2)13-20(17)29-22/h3-6,8,10,14H,7,9,11-13H2,1-2H3,(H,23,24,27)
InChIKeyZMVASAZAWWRPQY-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.93
Rot. Bonds4

About 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide (PubChem CID 56562435) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
PubChem CID56562435
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide
SMILESCC1Cc2ccccc2N1Cc1occc1C(=O)Nc1nc2c(s1)CN(C)CC2
InChIInChI=1S/C22H24N4O2S/c1-14-11-15-5-3-4-6-18(15)26(14)12-19-16(8-10-28-19)21(27)24-22-23-17-7-9-25(2)13-20(17)29-22/h3-6,8,10,14H,7,9,11-13H2,1-2H3,(H,23,24,27)
InChIKeyZMVASAZAWWRPQY-UHFFFAOYSA-N
XLogP3.93
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide?
The IUPAC name of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide (CID 56562435) is 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide?
The canonical SMILES for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide is CC1Cc2ccccc2N1Cc1occc1C(=O)Nc1nc2c(s1)CN(C)CC2.
What is the InChIKey of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide?
The InChIKey is ZMVASAZAWWRPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-14-11-15-5-3-4-6-18(15)26(14)12-19-16(8-10-28-19)21(27)24-22-23-17-7-9-25(2)13-20(17)29-22/h3-6,8,10,14H,7,9,11-13H2,1-2H3,(H,23,24,27).
What are the key properties of 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide?
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)furan-3-carboxamide is sourced from PubChem (CID 56562435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).