1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol

C19H27NO4S — CID 86849360

About 1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol

1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 86849360) has the molecular formula C19H27NO4S and a molecular weight of 365.50 g/mol. Its IUPAC name is 1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

• Compound Name: 1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
• PubChem CID: 86849360
• Molecular Formula: C19H27NO4S
• Molecular Weight: 365.50 g/mol
• Exact Mass: 365.17
• IUPAC Name: 1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
• SMILES: Cc1ccc(CN(Cc2ccco2)CC(O)COCC2CCCO2)s1
• InChI: InChI=1S/C19H27NO4S/c1-15-6-7-19(25-15)12-20(11-17-4-2-8-23-17)10-16(21)13-22-14-18-5-3-9-24-18/h2,4,6-8,16,18,21H,3,5,9-14H2,1H3
• InChIKey: OZLMVXNSIGJYBQ-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 55.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.50
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?

The IUPAC name of 1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 86849360) is 1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol.

What is the SMILES notation for 1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?

The canonical SMILES for 1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol is Cc1ccc(CN(Cc2ccco2)CC(O)COCC2CCCO2)s1.

What is the InChIKey of 1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?

The InChIKey is OZLMVXNSIGJYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4S/c1-15-6-7-19(25-15)12-20(11-17-4-2-8-23-17)10-16(21)13-22-14-18-5-3-9-24-18/h2,4,6-8,16,18,21H,3,5,9-14H2,1H3.

What are the key properties of 1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol?

1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 365.50 g/mol, XLogP of 3.21, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[furan-2-ylmethyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 86849360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).