1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide

C22H28N4OS2 — CID 55397767

IUPAC1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NC(c4cccs4)C(C)C)CC3)c2c1C
InChIInChI=1S/C22H28N4OS2/c1-13(2)19(17-6-5-11-28-17)25-21(27)16-7-9-26(10-8-16)20-18-14(3)15(4)29-22(18)24-12-23-20/h5-6,11-13,16,19H,7-10H2,1-4H3,(H,25,27)
InChIKeyDGEOWKYMDQVBNN-UHFFFAOYSA-N
MW428.63 g/mol
LogP5.10
Rot. Bonds5

About 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide

1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide (PubChem CID 55397767) has the molecular formula C22H28N4OS2 and a molecular weight of 428.63 g/mol. Its IUPAC name is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
PubChem CID55397767
Molecular FormulaC22H28N4OS2
Molecular Weight428.63 g/mol
Exact Mass428.17
IUPAC Name1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide
SMILESCc1sc2ncnc(N3CCC(C(=O)NC(c4cccs4)C(C)C)CC3)c2c1C
InChIInChI=1S/C22H28N4OS2/c1-13(2)19(17-6-5-11-28-17)25-21(27)16-7-9-26(10-8-16)20-18-14(3)15(4)29-22(18)24-12-23-20/h5-6,11-13,16,19H,7-10H2,1-4H3,(H,25,27)
InChIKeyDGEOWKYMDQVBNN-UHFFFAOYSA-N
XLogP5.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.63
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide (CID 55397767) is 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide is Cc1sc2ncnc(N3CCC(C(=O)NC(c4cccs4)C(C)C)CC3)c2c1C.
What is the InChIKey of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
The InChIKey is DGEOWKYMDQVBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS2/c1-13(2)19(17-6-5-11-28-17)25-21(27)16-7-9-26(10-8-16)20-18-14(3)15(4)29-22(18)24-12-23-20/h5-6,11-13,16,19H,7-10H2,1-4H3,(H,25,27).
What are the key properties of 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide?
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide has a molecular weight of 428.63 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methyl-1-thiophen-2-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 55397767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).