N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

C20H19FN4OS — CID 42891438

About N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 42891438) has the molecular formula C20H19FN4OS and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 42891438
• Molecular Formula: C20H19FN4OS
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.13
• IUPAC Name: N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
• SMILES: CC1Cc2ccccc2N1Cc1nnc(C(=O)NCc2ccc(F)cc2)s1
• InChI: InChI=1S/C20H19FN4OS/c1-13-10-15-4-2-3-5-17(15)25(13)12-18-23-24-20(27-18)19(26)22-11-14-6-8-16(21)9-7-14/h2-9,13H,10-12H2,1H3,(H,22,26)
• InChIKey: HGLWDYGPZOFCCG-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide (CID 42891438) is N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is CC1Cc2ccccc2N1Cc1nnc(C(=O)NCc2ccc(F)cc2)s1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?

The InChIKey is HGLWDYGPZOFCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4OS/c1-13-10-15-4-2-3-5-17(15)25(13)12-18-23-24-20(27-18)19(26)22-11-14-6-8-16(21)9-7-14/h2-9,13H,10-12H2,1H3,(H,22,26).

What are the key properties of N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide?

N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 42891438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).