3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide

C19H23N5O3S — CID 154754274

About 3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide

3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide (PubChem CID 154754274) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide
• PubChem CID: 154754274
• Molecular Formula: C19H23N5O3S
• Molecular Weight: 401.49 g/mol
• Exact Mass: 401.15
• IUPAC Name: 3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide
• SMILES: COc1cccc(Cc2nnc(NC(=O)N3CC(NC(=O)C4CCC4)C3)s2)c1
• InChI: InChI=1S/C19H23N5O3S/c1-27-15-7-2-4-12(8-15)9-16-22-23-18(28-16)21-19(26)24-10-14(11-24)20-17(25)13-5-3-6-13/h2,4,7-8,13-14H,3,5-6,9-11H2,1H3,(H,20,25)(H,21,23,26)
• InChIKey: ZKYOHJCEJMNZPJ-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 96.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.49
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide?

The IUPAC name of 3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide (CID 154754274) is 3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide.

What is the SMILES notation for 3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide?

The canonical SMILES for 3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide is COc1cccc(Cc2nnc(NC(=O)N3CC(NC(=O)C4CCC4)C3)s2)c1.

What is the InChIKey of 3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide?

The InChIKey is ZKYOHJCEJMNZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-27-15-7-2-4-12(8-15)9-16-22-23-18(28-16)21-19(26)24-10-14(11-24)20-17(25)13-5-3-6-13/h2,4,7-8,13-14H,3,5-6,9-11H2,1H3,(H,20,25)(H,21,23,26).

What are the key properties of 3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide?

3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclobutanecarbonylamino)-N-[5-[(3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]azetidine-1-carboxamide is sourced from PubChem (CID 154754274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).