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

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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Related Compounds

argon;(4-methylphenyl)-[2-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone
CID 157402421
naphthalen-2-yl-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone
CID 71746043
2,2,2-trifluoro-1-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]ethanone
CID 71745865
N-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 101008642
2-[[(2R,3R,4S,5S)-6-[(5-benzoyl-1,3-thiazol-2-yl)amino]-3,4,5-tris(2-deuterio-2-oxoethoxy)oxan-2-yl]methoxy]-1-deuterioethanone
CID 141402829
(6R)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 143582068
(2S,3R,4R,5R,6S)-2-anilino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6938933
(2,4-difluorophenyl)-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methylamino]-1,3-thiazol-5-yl]methanone
CID 140898276
ethyl 4-amino-5-benzoyl-2-[[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]thiophene-3-carboxylate
CID 164668498
N'-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbohydrazide
CID 7378080
1-[4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]ethanone
CID 655527
5-[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-1H-imidazole-2-carboxylic acid
CID 57190679

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).