4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

C24H21N5O2S2 — CID 26347532

About 4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide

4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 26347532) has the molecular formula C24H21N5O2S2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 26347532
• Molecular Formula: C24H21N5O2S2
• Molecular Weight: 475.60 g/mol
• Exact Mass: 475.11
• IUPAC Name: 4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1c(C(=O)NCCc2nc(-c3ccccc3)cs2)sc2ncnc(NCc3ccco3)c12
• InChI: InChI=1S/C24H21N5O2S2/c1-15-20-22(26-12-17-8-5-11-31-17)27-14-28-24(20)33-21(15)23(30)25-10-9-19-29-18(13-32-19)16-6-3-2-4-7-16/h2-8,11,13-14H,9-10,12H2,1H3,(H,25,30)(H,26,27,28)
• InChIKey: DZHCRUCYUWQXQC-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 92.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.60
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 26347532) is 4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1c(C(=O)NCCc2nc(-c3ccccc3)cs2)sc2ncnc(NCc3ccco3)c12.

What is the InChIKey of 4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is DZHCRUCYUWQXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S2/c1-15-20-22(26-12-17-8-5-11-31-17)27-14-28-24(20)33-21(15)23(30)25-10-9-19-29-18(13-32-19)16-6-3-2-4-7-16/h2-8,11,13-14H,9-10,12H2,1H3,(H,25,30)(H,26,27,28).

What are the key properties of 4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide?

4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-ylmethylamino)-5-methyl-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 26347532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).