1-[2-[2-[5-cyclopropyl-4-(methylamino)-1,2-thiazol-3-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid

C19H16N2O4S — CID 144533555

About 1-[2-[2-[5-cyclopropyl-4-(methylamino)-1,2-thiazol-3-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid

1-[2-[2-[5-cyclopropyl-4-(methylamino)-1,2-thiazol-3-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 144533555) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-[2-[2-[5-cyclopropyl-4-(methylamino)-1,2-thiazol-3-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-[2-[5-cyclopropyl-4-(methylamino)-1,2-thiazol-3-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid
• PubChem CID: 144533555
• Molecular Formula: C19H16N2O4S
• Molecular Weight: 368.41 g/mol
• Exact Mass: 368.08
• IUPAC Name: 1-[2-[2-[5-cyclopropyl-4-(methylamino)-1,2-thiazol-3-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid
• SMILES: CNc1c(C#Cc2cc3cc(C4(C(=O)O)CC4)oc3o2)nsc1C1CC1
• InChI: InChI=1S/C19H16N2O4S/c1-20-15-13(21-26-16(15)10-2-3-10)5-4-12-8-11-9-14(25-17(11)24-12)19(6-7-19)18(22)23/h8-10,20H,2-3,6-7H2,1H3,(H,22,23)
• InChIKey: FBJXGGJZXVGJFW-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 88.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.41
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[5-cyclopropyl-4-(methylamino)-1,2-thiazol-3-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid?

The IUPAC name of 1-[2-[2-[5-cyclopropyl-4-(methylamino)-1,2-thiazol-3-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid (CID 144533555) is 1-[2-[2-[5-cyclopropyl-4-(methylamino)-1,2-thiazol-3-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid.

What is the SMILES notation for 1-[2-[2-[5-cyclopropyl-4-(methylamino)-1,2-thiazol-3-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid?

The canonical SMILES for 1-[2-[2-[5-cyclopropyl-4-(methylamino)-1,2-thiazol-3-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid is CNc1c(C#Cc2cc3cc(C4(C(=O)O)CC4)oc3o2)nsc1C1CC1.

What is the InChIKey of 1-[2-[2-[5-cyclopropyl-4-(methylamino)-1,2-thiazol-3-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid?

The InChIKey is FBJXGGJZXVGJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-20-15-13(21-26-16(15)10-2-3-10)5-4-12-8-11-9-14(25-17(11)24-12)19(6-7-19)18(22)23/h8-10,20H,2-3,6-7H2,1H3,(H,22,23).

What are the key properties of 1-[2-[2-[5-cyclopropyl-4-(methylamino)-1,2-thiazol-3-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid?

1-[2-[2-[5-cyclopropyl-4-(methylamino)-1,2-thiazol-3-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 368.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[5-cyclopropyl-4-(methylamino)-1,2-thiazol-3-yl]ethynyl]furo[2,3-b]furan-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 144533555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).