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

C19H20N4O2S — CID 84561267

IUPAC4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide
SMILESCN1CCc2nc(NC(=O)CCC(=O)n3ccc4ccccc43)sc2C1
InChIInChI=1S/C19H20N4O2S/c1-22-10-9-14-16(12-22)26-19(20-14)21-17(24)6-7-18(25)23-11-8-13-4-2-3-5-15(13)23/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,20,21,24)
InChIKeyYMLHPEAYWCHMCJ-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.14
Rot. Bonds4

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

4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide (PubChem CID 84561267) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide
PubChem CID84561267
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide
SMILESCN1CCc2nc(NC(=O)CCC(=O)n3ccc4ccccc43)sc2C1
InChIInChI=1S/C19H20N4O2S/c1-22-10-9-14-16(12-22)26-19(20-14)21-17(24)6-7-18(25)23-11-8-13-4-2-3-5-15(13)23/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,20,21,24)
InChIKeyYMLHPEAYWCHMCJ-UHFFFAOYSA-N
XLogP3.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 39177210
3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110480434
4-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 39177041
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 35978089
1-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)indole-2-carboxamide
CID 87039803
2-(2-methoxyphenoxy)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 31246055
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 31246798
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31902099
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 31245977
N'-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-N-pyridin-2-yloxamide
CID 108525921
1-(2-fluorophenyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 108866854
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 38417228

Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide?
The IUPAC name of 4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide (CID 84561267) is 4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide.
What is the SMILES notation for 4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide?
The canonical SMILES for 4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide is CN1CCc2nc(NC(=O)CCC(=O)n3ccc4ccccc43)sc2C1.
What is the InChIKey of 4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide?
The InChIKey is YMLHPEAYWCHMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-22-10-9-14-16(12-22)26-19(20-14)21-17(24)6-7-18(25)23-11-8-13-4-2-3-5-15(13)23/h2-5,8,11H,6-7,9-10,12H2,1H3,(H,20,21,24).
What are the key properties of 4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide?
4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide has a molecular weight of 368.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-oxobutanamide is sourced from PubChem (CID 84561267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).