N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

C19H20N6O2S — CID 110623398

IUPACN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCc1nnc2sc(CCC(=O)Nc3ccc4c(c3)CCN4C(=O)C3CC3)nn12
InChIInChI=1S/C19H20N6O2S/c1-11-21-22-19-25(11)23-17(28-19)7-6-16(26)20-14-4-5-15-13(10-14)8-9-24(15)18(27)12-2-3-12/h4-5,10,12H,2-3,6-9H2,1H3,(H,20,26)
InChIKeyHIVRTYFCZRGXAU-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.36
Rot. Bonds5

About N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110623398) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110623398
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESCc1nnc2sc(CCC(=O)Nc3ccc4c(c3)CCN4C(=O)C3CC3)nn12
InChIInChI=1S/C19H20N6O2S/c1-11-21-22-19-25(11)23-17(28-19)7-6-16(26)20-14-4-5-15-13(10-14)8-9-24(15)18(27)12-2-3-12/h4-5,10,12H,2-3,6-9H2,1H3,(H,20,26)
InChIKeyHIVRTYFCZRGXAU-UHFFFAOYSA-N
XLogP2.36
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-bromophenyl)-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385567
3-(3-chlorophenyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110623369
ethyl 4-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoylamino]benzoate
CID 110385589
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
CID 110623188
3-(benzenesulfonyl)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]propanamide
CID 110303825
1-acetyl-N-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110401180
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 7656487
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,3-benzothiazol-2-yl)propanamide
CID 30494500
3-acetamido-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110353642
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide
CID 110312996
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 110385943
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide
CID 110675483

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110623398) is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is Cc1nnc2sc(CCC(=O)Nc3ccc4c(c3)CCN4C(=O)C3CC3)nn12.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is HIVRTYFCZRGXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-11-21-22-19-25(11)23-17(28-19)7-6-16(26)20-14-4-5-15-13(10-14)8-9-24(15)18(27)12-2-3-12/h4-5,10,12H,2-3,6-9H2,1H3,(H,20,26).
What are the key properties of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 396.48 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110623398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).