1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

C19H22N4OS2 — CID 24567416

IUPAC1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(-c3cccs3)nc3sc(C)c(C)c23)CC1
InChIInChI=1S/C19H22N4OS2/c1-11-12(2)26-19-15(11)17(21-16(22-19)14-5-4-10-25-14)23-8-6-13(7-9-23)18(24)20-3/h4-5,10,13H,6-9H2,1-3H3,(H,20,24)
InChIKeyMVJPCOBBOZFZRI-UHFFFAOYSA-N
MW386.55 g/mol
LogP4.00
Rot. Bonds3

About 1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 24567416) has the molecular formula C19H22N4OS2 and a molecular weight of 386.55 g/mol. Its IUPAC name is 1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
PubChem CID24567416
Molecular FormulaC19H22N4OS2
Molecular Weight386.55 g/mol
Exact Mass386.12
IUPAC Name1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(-c3cccs3)nc3sc(C)c(C)c23)CC1
InChIInChI=1S/C19H22N4OS2/c1-11-12(2)26-19-15(11)17(21-16(22-19)14-5-4-10-25-14)23-8-6-13(7-9-23)18(24)20-3/h4-5,10,13H,6-9H2,1-3H3,(H,20,24)
InChIKeyMVJPCOBBOZFZRI-UHFFFAOYSA-N
XLogP4.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide (CID 24567416) is 1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2nc(-c3cccs3)nc3sc(C)c(C)c23)CC1.
What is the InChIKey of 1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is MVJPCOBBOZFZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS2/c1-11-12(2)26-19-15(11)17(21-16(22-19)14-5-4-10-25-14)23-8-6-13(7-9-23)18(24)20-3/h4-5,10,13H,6-9H2,1-3H3,(H,20,24).
What are the key properties of 1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide?
1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 386.55 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 24567416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).