1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea

C19H19N5OS — CID 167947615

About 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea

1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea (PubChem CID 167947615) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
• PubChem CID: 167947615
• Molecular Formula: C19H19N5OS
• Molecular Weight: 365.46 g/mol
• Exact Mass: 365.13
• IUPAC Name: 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea
• SMILES: O=C(NCc1ccc2c(c1)CNC2)NCc1nnc(-c2ccccc2)s1
• InChI: InChI=1S/C19H19N5OS/c25-19(21-9-13-6-7-15-10-20-11-16(15)8-13)22-12-17-23-24-18(26-17)14-4-2-1-3-5-14/h1-8,20H,9-12H2,(H2,21,22,25)
• InChIKey: HZDQNDYYQLXGEB-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 78.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.46
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea?

The IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea (CID 167947615) is 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea.

What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea?

The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea is O=C(NCc1ccc2c(c1)CNC2)NCc1nnc(-c2ccccc2)s1.

What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea?

The InChIKey is HZDQNDYYQLXGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c25-19(21-9-13-6-7-15-10-20-11-16(15)8-13)22-12-17-23-24-18(26-17)14-4-2-1-3-5-14/h1-8,20H,9-12H2,(H2,21,22,25).

What are the key properties of 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea?

1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea has a molecular weight of 365.46 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-isoindol-5-ylmethyl)-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]urea is sourced from PubChem (CID 167947615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).