1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea

C15H15N7OS — CID 51080164

About 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea (PubChem CID 51080164) has the molecular formula C15H15N7OS and a molecular weight of 341.40 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea.

Molecular Properties

• Compound Name: 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
• PubChem CID: 51080164
• Molecular Formula: C15H15N7OS
• Molecular Weight: 341.40 g/mol
• Exact Mass: 341.11
• IUPAC Name: 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
• SMILES: O=C(NCc1ccc(-n2ccnc2)nc1)Nc1nnc(C2CC2)s1
• InChI: InChI=1S/C15H15N7OS/c23-14(19-15-21-20-13(24-15)11-2-3-11)18-8-10-1-4-12(17-7-10)22-6-5-16-9-22/h1,4-7,9,11H,2-3,8H2,(H2,18,19,21,23)
• InChIKey: IKWOLTMMADYQBR-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 97.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.40
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?

The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea (CID 51080164) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea.

What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?

The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea is O=C(NCc1ccc(-n2ccnc2)nc1)Nc1nnc(C2CC2)s1.

What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?

The InChIKey is IKWOLTMMADYQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7OS/c23-14(19-15-21-20-13(24-15)11-2-3-11)18-8-10-1-4-12(17-7-10)22-6-5-16-9-22/h1,4-7,9,11H,2-3,8H2,(H2,18,19,21,23).

What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea?

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea has a molecular weight of 341.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea is sourced from PubChem (CID 51080164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).