1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C17H18N4OS2 — CID 2464730

IUPAC1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(N)=O)CC2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C17H18N4OS2/c1-10-19-16(21-6-4-11(5-7-21)15(18)22)14-12(9-24-17(14)20-10)13-3-2-8-23-13/h2-3,8-9,11H,4-7H2,1H3,(H2,18,22)
InChIKeyJOPVMTPXKOAVLA-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.43
Rot. Bonds3

About 1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 2464730) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID2464730
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1nc(N2CCC(C(N)=O)CC2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C17H18N4OS2/c1-10-19-16(21-6-4-11(5-7-21)15(18)22)14-12(9-24-17(14)20-10)13-3-2-8-23-13/h2-3,8-9,11H,4-7H2,1H3,(H2,18,22)
InChIKeyJOPVMTPXKOAVLA-UHFFFAOYSA-N
XLogP3.43
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 2464730) is 1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is Cc1nc(N2CCC(C(N)=O)CC2)c2c(-c3cccs3)csc2n1.
What is the InChIKey of 1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is JOPVMTPXKOAVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-10-19-16(21-6-4-11(5-7-21)15(18)22)14-12(9-24-17(14)20-10)13-3-2-8-23-13/h2-3,8-9,11H,4-7H2,1H3,(H2,18,22).
What are the key properties of 1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 2464730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).