N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C19H19N5O2S2 — CID 33265187

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 33265187) has the molecular formula C19H19N5O2S2 and a molecular weight of 413.53 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 33265187
• Molecular Formula: C19H19N5O2S2
• Molecular Weight: 413.53 g/mol
• Exact Mass: 413.10
• IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: CCCCc1nnc(NC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)s1
• InChI: InChI=1S/C19H19N5O2S2/c1-4-5-8-13-23-24-19(27-13)22-17(25)15-10(2)14-11(3)20-16(21-18(14)28-15)12-7-6-9-26-12/h6-7,9H,4-5,8H2,1-3H3,(H,22,24,25)
• InChIKey: RRGTVTVPVPLMLI-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 93.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.53
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 33265187) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is CCCCc1nnc(NC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)s1.

What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is RRGTVTVPVPLMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S2/c1-4-5-8-13-23-24-19(27-13)22-17(25)15-10(2)14-11(3)20-16(21-18(14)28-15)12-7-6-9-26-12/h6-7,9H,4-5,8H2,1-3H3,(H,22,24,25).

What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 413.53 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 33265187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).