2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide

C25H26N6OS2 — CID 24622977

IUPAC2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide
SMILESNc1nc(SCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)nc2sccc12
InChIInChI=1S/C25H26N6OS2/c26-23-21-10-15-33-24(21)29-25(28-23)34-17-22(32)27-19-6-8-20(9-7-19)31-13-11-30(12-14-31)16-18-4-2-1-3-5-18/h1-10,15H,11-14,16-17H2,(H,27,32)(H2,26,28,29)
InChIKeyGMZJGOZYCPVSDN-UHFFFAOYSA-N
MW490.66 g/mol
LogP4.33
Rot. Bonds7

About 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide

2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide (PubChem CID 24622977) has the molecular formula C25H26N6OS2 and a molecular weight of 490.66 g/mol. Its IUPAC name is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide
PubChem CID24622977
Molecular FormulaC25H26N6OS2
Molecular Weight490.66 g/mol
Exact Mass490.16
IUPAC Name2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide
SMILESNc1nc(SCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)nc2sccc12
InChIInChI=1S/C25H26N6OS2/c26-23-21-10-15-33-24(21)29-25(28-23)34-17-22(32)27-19-6-8-20(9-7-19)31-13-11-30(12-14-31)16-18-4-2-1-3-5-18/h1-10,15H,11-14,16-17H2,(H,27,32)(H2,26,28,29)
InChIKeyGMZJGOZYCPVSDN-UHFFFAOYSA-N
XLogP4.33
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.66
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide
CID 51579867
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-pyrimidin-2-ylacetamide
CID 60699189
2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 27292622
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide
CID 16619728
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24619093
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(4-ethoxyphenyl)sulfanylacetamide
CID 30499440
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46514320
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[[4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46537706
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 46572885
N-[4-(4-benzylpiperazin-1-yl)phenyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 42314937
2-[[2-[4-(4-benzylpiperazin-1-yl)anilino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 26579098
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(azetidin-1-yl)ethanone
CID 60733654

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide (CID 24622977) is 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide is Nc1nc(SCC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)nc2sccc12.
What is the InChIKey of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is GMZJGOZYCPVSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6OS2/c26-23-21-10-15-33-24(21)29-25(28-23)34-17-22(32)27-19-6-8-20(9-7-19)31-13-11-30(12-14-31)16-18-4-2-1-3-5-18/h1-10,15H,11-14,16-17H2,(H,27,32)(H2,26,28,29).
What are the key properties of 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide?
2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 490.66 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 24622977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).