1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol

C19H25N3O2S — CID 70565218

About 1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol

1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol (PubChem CID 70565218) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol
• PubChem CID: 70565218
• Molecular Formula: C19H25N3O2S
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.17
• IUPAC Name: 1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol
• SMILES: Cc1nnc(/C=C\c2ccccc2OCC(O)CNC2(C)CCC2)s1
• InChI: InChI=1S/C19H25N3O2S/c1-14-21-22-18(25-14)9-8-15-6-3-4-7-17(15)24-13-16(23)12-20-19(2)10-5-11-19/h3-4,6-9,16,20,23H,5,10-13H2,1-2H3/b9-8-
• InChIKey: NBWAUCNHQRPZSI-HJWRWDBZSA-N
• XLogP: 3.29
• TPSA: 67.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.50
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol?

The IUPAC name of 1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol (CID 70565218) is 1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol.

What is the SMILES notation for 1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol?

The canonical SMILES for 1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol is Cc1nnc(/C=C\c2ccccc2OCC(O)CNC2(C)CCC2)s1.

What is the InChIKey of 1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol?

The InChIKey is NBWAUCNHQRPZSI-HJWRWDBZSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-21-22-18(25-14)9-8-15-6-3-4-7-17(15)24-13-16(23)12-20-19(2)10-5-11-19/h3-4,6-9,16,20,23H,5,10-13H2,1-2H3/b9-8-.

What are the key properties of 1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol?

1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol has a molecular weight of 359.50 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1-methylcyclobutyl)amino]-3-[2-[(Z)-2-(5-methyl-1,3,4-thiadiazol-2-yl)ethenyl]phenoxy]propan-2-ol is sourced from PubChem (CID 70565218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).