5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide

C19H14FN3O3S — CID 135996381

About 5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide

5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide (PubChem CID 135996381) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide
• PubChem CID: 135996381
• Molecular Formula: C19H14FN3O3S
• Molecular Weight: 383.40 g/mol
• Exact Mass: 383.07
• IUPAC Name: 5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide
• SMILES: CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(-c2ccccc2F)o1
• InChI: InChI=1S/C19H14FN3O3S/c1-23(10-16-21-13-8-9-27-17(13)18(24)22-16)19(25)15-7-6-14(26-15)11-4-2-3-5-12(11)20/h2-9H,10H2,1H3,(H,21,22,24)
• InChIKey: GPKHOMXWXIXBOQ-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 79.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.40
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide?

The IUPAC name of 5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide (CID 135996381) is 5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide.

What is the SMILES notation for 5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide?

The canonical SMILES for 5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide is CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccc(-c2ccccc2F)o1.

What is the InChIKey of 5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide?

The InChIKey is GPKHOMXWXIXBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S/c1-23(10-16-21-13-8-9-27-17(13)18(24)22-16)19(25)15-7-6-14(26-15)11-4-2-3-5-12(11)20/h2-9H,10H2,1H3,(H,21,22,24).

What are the key properties of 5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide?

5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 135996381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).