N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide

C20H24N4O2S2 — CID 47550028

About N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide

N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 47550028) has the molecular formula C20H24N4O2S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide
• PubChem CID: 47550028
• Molecular Formula: C20H24N4O2S2
• Molecular Weight: 416.57 g/mol
• Exact Mass: 416.13
• IUPAC Name: N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide
• SMILES: Cc1sc2nc(C(C)N3CCC(NC(=O)c4ccsc4)CC3)[nH]c(=O)c2c1C
• InChI: InChI=1S/C20H24N4O2S2/c1-11-13(3)28-20-16(11)19(26)22-17(23-20)12(2)24-7-4-15(5-8-24)21-18(25)14-6-9-27-10-14/h6,9-10,12,15H,4-5,7-8H2,1-3H3,(H,21,25)(H,22,23,26)
• InChIKey: FHJJJEPKFIHZOX-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 78.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.57
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide?

The IUPAC name of N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide (CID 47550028) is N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide.

What is the SMILES notation for N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide?

The canonical SMILES for N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide is Cc1sc2nc(C(C)N3CCC(NC(=O)c4ccsc4)CC3)[nH]c(=O)c2c1C.

What is the InChIKey of N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide?

The InChIKey is FHJJJEPKFIHZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S2/c1-11-13(3)28-20-16(11)19(26)22-17(23-20)12(2)24-7-4-15(5-8-24)21-18(25)14-6-9-27-10-14/h6,9-10,12,15H,4-5,7-8H2,1-3H3,(H,21,25)(H,22,23,26).

What are the key properties of N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide?

N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[1-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 47550028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).