N-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide

C16H20N4O2S — CID 164640356

IUPACN-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](Nc2ncnc3sc(C)c(C)c23)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C16H20N4O2S/c1-7-8(2)23-16-11(7)15(17-6-18-16)20-12-10-4-5-22-14(10)13(12)19-9(3)21/h6,10,12-14H,4-5H2,1-3H3,(H,19,21)(H,17,18,20)/t10-,12+,13-,14-/m0/s1
InChIKeyNHYYRYJTBVRNOS-GHYVTOPFSA-N
MW332.43 g/mol
LogP2.01
Rot. Bonds3

About N-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide

N-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide (PubChem CID 164640356) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
PubChem CID164640356
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](Nc2ncnc3sc(C)c(C)c23)[C@@H]2CCO[C@@H]21
InChIInChI=1S/C16H20N4O2S/c1-7-8(2)23-16-11(7)15(17-6-18-16)20-12-10-4-5-22-14(10)13(12)19-9(3)21/h6,10,12-14H,4-5H2,1-3H3,(H,19,21)(H,17,18,20)/t10-,12+,13-,14-/m0/s1
InChIKeyNHYYRYJTBVRNOS-GHYVTOPFSA-N
XLogP2.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The IUPAC name of N-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide (CID 164640356) is N-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide.
What is the SMILES notation for N-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The canonical SMILES for N-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide is CC(=O)N[C@H]1[C@H](Nc2ncnc3sc(C)c(C)c23)[C@@H]2CCO[C@@H]21.
What is the InChIKey of N-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
The InChIKey is NHYYRYJTBVRNOS-GHYVTOPFSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-7-8(2)23-16-11(7)15(17-6-18-16)20-12-10-4-5-22-14(10)13(12)19-9(3)21/h6,10,12-14H,4-5H2,1-3H3,(H,19,21)(H,17,18,20)/t10-,12+,13-,14-/m0/s1.
What are the key properties of N-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide?
N-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S,6R,7S)-6-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide is sourced from PubChem (CID 164640356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).