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Argon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone

C16H18ArN2O6S — CID 158841854

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACargon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccccc1)c1cnc(N[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)s1.[Ar]
InChIInChI=1S/C16H18N2O6S.Ar/c19-7-9-12(21)13(22)14(23)15(24-9)18-16-17-6-10(25-16)11(20)8-4-2-1-3-5-8;/h1-6,9,12-15,19,21-23H,7H2,(H,17,18);/t9?,12-,13+,14?,15+;/m1./s1
InChIKeyIYIPYPFIASEWFR-XEILSWMOSA-N
MW406.34 g/mol
LogP-0.41
Rot. Bonds5

About Argon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone

Argon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone (PubChem CID 158841854) has the molecular formula C16H18ArN2O6S and a molecular weight of 406.34 g/mol. Its IUPAC name is argon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound NameArgon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone
PubChem CID158841854
Molecular FormulaC16H18ArN2O6S
Molecular Weight406.34 g/mol
Exact Mass406.05
IUPAC Nameargon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccccc1)c1cnc(N[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)s1.[Ar]
InChIInChI=1S/C16H18N2O6S.Ar/c19-7-9-12(21)13(22)14(23)15(24-9)18-16-17-6-10(25-16)11(20)8-4-2-1-3-5-8;/h1-6,9,12-15,19,21-23H,7H2,(H,17,18);/t9?,12-,13+,14?,15+;/m1./s1
InChIKeyIYIPYPFIASEWFR-XEILSWMOSA-N
XLogP-0.41
TPSA132.14 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of Argon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone?
The IUPAC name of Argon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone (CID 158841854) is argon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for Argon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for Argon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone is O=C(c1ccccc1)c1cnc(N[C@H]2OC(CO)[C@@H](O)[C@H](O)C2O)s1.[Ar].
What is the InChIKey of Argon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone?
The InChIKey is IYIPYPFIASEWFR-XEILSWMOSA-N. The full InChI is InChI=1S/C16H18N2O6S.Ar/c19-7-9-12(21)13(22)14(23)15(24-9)18-16-17-6-10(25-16)11(20)8-4-2-1-3-5-8;/h1-6,9,12-15,19,21-23H,7H2,(H,17,18);/t9?,12-,13+,14?,15+;/m1./s1.
What are the key properties of Argon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone?
Argon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone has a molecular weight of 406.34 g/mol, XLogP of -0.41, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for Argon;phenyl-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 158841854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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