6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione

C11H14N6O3S2 — CID 2489818

IUPAC6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@H](Sc1nnc(N)s1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H14N6O3S2/c1-4(21-10-15-14-9(13)22-10)6(18)5-7(12)16(2)11(20)17(3)8(5)19/h4H,12H2,1-3H3,(H2,13,14)/t4-/m0/s1
InChIKeyQQGLXYNLCWEPSF-BYPYZUCNSA-N
MW342.41 g/mol
LogP-0.54
Rot. Bonds4

About 6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 2489818) has the molecular formula C11H14N6O3S2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID2489818
Molecular FormulaC11H14N6O3S2
Molecular Weight342.41 g/mol
Exact Mass342.06
IUPAC Name6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESC[C@H](Sc1nnc(N)s1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H14N6O3S2/c1-4(21-10-15-14-9(13)22-10)6(18)5-7(12)16(2)11(20)17(3)8(5)19/h4H,12H2,1-3H3,(H2,13,14)/t4-/m0/s1
InChIKeyQQGLXYNLCWEPSF-BYPYZUCNSA-N
XLogP-0.54
TPSA138.89 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.41
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione (CID 2489818) is 6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is C[C@H](Sc1nnc(N)s1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QQGLXYNLCWEPSF-BYPYZUCNSA-N. The full InChI is InChI=1S/C11H14N6O3S2/c1-4(21-10-15-14-9(13)22-10)6(18)5-7(12)16(2)11(20)17(3)8(5)19/h4H,12H2,1-3H3,(H2,13,14)/t4-/m0/s1.
What are the key properties of 6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 342.41 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(2S)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 2489818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).