2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride

C13H19ClN4OS2 — CID 119503357

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride
SMILESCNCCNC(=O)CSc1ncnc2sc(C)c(C)c12.Cl
InChIInChI=1S/C13H18N4OS2.ClH/c1-8-9(2)20-13-11(8)12(16-7-17-13)19-6-10(18)15-5-4-14-3;/h7,14H,4-6H2,1-3H3,(H,15,18);1H
InChIKeyOJCHXCPOUUJRKM-UHFFFAOYSA-N
MW346.91 g/mol
LogP2.16
Rot. Bonds6

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride (PubChem CID 119503357) has the molecular formula C13H19ClN4OS2 and a molecular weight of 346.91 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride
PubChem CID119503357
Molecular FormulaC13H19ClN4OS2
Molecular Weight346.91 g/mol
Exact Mass346.07
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride
SMILESCNCCNC(=O)CSc1ncnc2sc(C)c(C)c12.Cl
InChIInChI=1S/C13H18N4OS2.ClH/c1-8-9(2)20-13-11(8)12(16-7-17-13)19-6-10(18)15-5-4-14-3;/h7,14H,4-6H2,1-3H3,(H,15,18);1H
InChIKeyOJCHXCPOUUJRKM-UHFFFAOYSA-N
XLogP2.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.91
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 1412618
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-phenylpropyl)acetamide
CID 2390487
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
CID 166191465
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 4875922
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 2536623
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 55840170
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 40600154
N-(2,6-dimethylphenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 1144552
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide
CID 78762835
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 711233
N'-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-2-phenylacetohydrazide
CID 1142938
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119389401

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride (CID 119503357) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride is CNCCNC(=O)CSc1ncnc2sc(C)c(C)c12.Cl.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
The InChIKey is OJCHXCPOUUJRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2.ClH/c1-8-9(2)20-13-11(8)12(16-7-17-13)19-6-10(18)15-5-4-14-3;/h7,14H,4-6H2,1-3H3,(H,15,18);1H.
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride has a molecular weight of 346.91 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-[2-(methylamino)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119503357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).