2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide

C16H18N4O2S2 — CID 17395379

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Sc1ncnc2sc(C)c(C)c12)C(=O)Nc1cc(C)on1
InChIInChI=1S/C16H18N4O2S2/c1-5-11(14(21)19-12-6-8(2)22-20-12)24-16-13-9(3)10(4)23-15(13)17-7-18-16/h6-7,11H,5H2,1-4H3,(H,19,20,21)
InChIKeyAMTSLFQOOFHUCH-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.11
Rot. Bonds5

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide (PubChem CID 17395379) has the molecular formula C16H18N4O2S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
PubChem CID17395379
Molecular FormulaC16H18N4O2S2
Molecular Weight362.48 g/mol
Exact Mass362.09
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide
SMILESCCC(Sc1ncnc2sc(C)c(C)c12)C(=O)Nc1cc(C)on1
InChIInChI=1S/C16H18N4O2S2/c1-5-11(14(21)19-12-6-8(2)22-20-12)24-16-13-9(3)10(4)23-15(13)17-7-18-16/h6-7,11H,5H2,1-4H3,(H,19,20,21)
InChIKeyAMTSLFQOOFHUCH-UHFFFAOYSA-N
XLogP4.11
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide (CID 17395379) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide is CCC(Sc1ncnc2sc(C)c(C)c12)C(=O)Nc1cc(C)on1.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
The InChIKey is AMTSLFQOOFHUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S2/c1-5-11(14(21)19-12-6-8(2)22-20-12)24-16-13-9(3)10(4)23-15(13)17-7-18-16/h6-7,11H,5H2,1-4H3,(H,19,20,21).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide has a molecular weight of 362.48 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 17395379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).