2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide

C20H25N5OS2 — CID 9116509

IUPAC2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nc(N2CCN(CC(=O)NC(C)C)CC2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C20H25N5OS2/c1-13(2)21-17(26)11-24-6-8-25(9-7-24)19-18-15(16-5-4-10-27-16)12-28-20(18)23-14(3)22-19/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,21,26)
InChIKeyPNXPNGDTKNXXAQ-UHFFFAOYSA-N
MW415.59 g/mol
LogP3.37
Rot. Bonds5

About 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 9116509) has the molecular formula C20H25N5OS2 and a molecular weight of 415.59 g/mol. Its IUPAC name is 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID9116509
Molecular FormulaC20H25N5OS2
Molecular Weight415.59 g/mol
Exact Mass415.15
IUPAC Name2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1nc(N2CCN(CC(=O)NC(C)C)CC2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C20H25N5OS2/c1-13(2)21-17(26)11-24-6-8-25(9-7-24)19-18-15(16-5-4-10-27-16)12-28-20(18)23-14(3)22-19/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,21,26)
InChIKeyPNXPNGDTKNXXAQ-UHFFFAOYSA-N
XLogP3.37
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.59
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 9116509) is 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide is Cc1nc(N2CCN(CC(=O)NC(C)C)CC2)c2c(-c3cccs3)csc2n1.
What is the InChIKey of 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is PNXPNGDTKNXXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS2/c1-13(2)21-17(26)11-24-6-8-25(9-7-24)19-18-15(16-5-4-10-27-16)12-28-20(18)23-14(3)22-19/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,21,26).
What are the key properties of 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 415.59 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 9116509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).