2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide

C17H18N4OS2 — CID 133408809

IUPAC2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)c1ncnc2sc(C)cc12
InChIInChI=1S/C17H18N4OS2/c1-11-8-12-16(18-10-19-17(12)24-11)21(2)9-15(22)20-13-6-4-5-7-14(13)23-3/h4-8,10H,9H2,1-3H3,(H,20,22)
InChIKeyMCQDXAXMGCROOW-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.80
Rot. Bonds5

About 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide

2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide (PubChem CID 133408809) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide
PubChem CID133408809
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC Name2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1NC(=O)CN(C)c1ncnc2sc(C)cc12
InChIInChI=1S/C17H18N4OS2/c1-11-8-12-16(18-10-19-17(12)24-11)21(2)9-15(22)20-13-6-4-5-7-14(13)23-3/h4-8,10H,9H2,1-3H3,(H,20,22)
InChIKeyMCQDXAXMGCROOW-UHFFFAOYSA-N
XLogP3.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 84590191
N-(2-ethylphenyl)-2-[methyl(thieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 9195854
2-[methyl(quinazolin-4-yl)amino]-N-naphthalen-1-ylacetamide
CID 17455628
3-[3-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoylamino]propanoic acid
CID 92943164
N-cyclopropyl-2-[methyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 51110152
N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 63617064
N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 9110827
N-(3,5-dimethoxyphenyl)-2-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 133337570
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
N'-methyl-N'-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylethane-1,2-diamine
CID 63618416
N-(4-bromo-2-methylphenyl)-2-[(6-fluoroquinazolin-4-yl)-methylamino]acetamide
CID 78901541
2-[(4-methoxy-1,3-benzothiazol-2-yl)-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 90605614

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide (CID 133408809) is 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1NC(=O)CN(C)c1ncnc2sc(C)cc12.
What is the InChIKey of 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide?
The InChIKey is MCQDXAXMGCROOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-11-8-12-16(18-10-19-17(12)24-11)21(2)9-15(22)20-13-6-4-5-7-14(13)23-3/h4-8,10H,9H2,1-3H3,(H,20,22).
What are the key properties of 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide?
2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide has a molecular weight of 358.49 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 133408809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).