2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

C17H20N4O2S2 — CID 3220444

IUPAC2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nnc(SCC(=O)N2c3ccccc3CC2C)s1
InChIInChI=1S/C17H20N4O2S2/c1-10(2)15(23)18-16-19-20-17(25-16)24-9-14(22)21-11(3)8-12-6-4-5-7-13(12)21/h4-7,10-11H,8-9H2,1-3H3,(H,18,19,23)
InChIKeyPIDLWUVMRWSOLO-UHFFFAOYSA-N
MW376.51 g/mol
LogP3.20
Rot. Bonds5

About 2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide

2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 3220444) has the molecular formula C17H20N4O2S2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID3220444
Molecular FormulaC17H20N4O2S2
Molecular Weight376.51 g/mol
Exact Mass376.10
IUPAC Name2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)C(=O)Nc1nnc(SCC(=O)N2c3ccccc3CC2C)s1
InChIInChI=1S/C17H20N4O2S2/c1-10(2)15(23)18-16-19-20-17(25-16)24-9-14(22)21-11(3)8-12-6-4-5-7-13(12)21/h4-7,10-11H,8-9H2,1-3H3,(H,18,19,23)
InChIKeyPIDLWUVMRWSOLO-UHFFFAOYSA-N
XLogP3.20
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide (CID 3220444) is 2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is CC(C)C(=O)Nc1nnc(SCC(=O)N2c3ccccc3CC2C)s1.
What is the InChIKey of 2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is PIDLWUVMRWSOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S2/c1-10(2)15(23)18-16-19-20-17(25-16)24-9-14(22)21-11(3)8-12-6-4-5-7-13(12)21/h4-7,10-11H,8-9H2,1-3H3,(H,18,19,23).
What are the key properties of 2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide?
2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 376.51 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 3220444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).