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

C20H20N2O6S — CID 71746043

IUPACnaphthalen-2-yl-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)c1cnc(N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)s1
InChIInChI=1S/C20H20N2O6S/c23-9-13-16(25)17(26)18(27)19(28-13)22-20-21-8-14(29-20)15(24)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,13,16-19,23,25-27H,9H2,(H,21,22)/t13-,16-,17+,18+,19+/m1/s1
InChIKeyDGCWVEOHKMAFTM-UVMNYOIOSA-N
MW416.46 g/mol
LogP0.74
Rot. Bonds5

About 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

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 (PubChem CID 71746043) has the molecular formula C20H20N2O6S and a molecular weight of 416.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namenaphthalen-2-yl-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone
PubChem CID71746043
Molecular FormulaC20H20N2O6S
Molecular Weight416.46 g/mol
Exact Mass416.10
IUPAC Namenaphthalen-2-yl-[2-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccc2ccccc2c1)c1cnc(N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)s1
InChIInChI=1S/C20H20N2O6S/c23-9-13-16(25)17(26)18(27)19(28-13)22-20-21-8-14(29-20)15(24)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,13,16-19,23,25-27H,9H2,(H,21,22)/t13-,16-,17+,18+,19+/m1/s1
InChIKeyDGCWVEOHKMAFTM-UVMNYOIOSA-N
XLogP0.74
TPSA132.14 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 50.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(c1ccc2ccccc2c1)c1cnc(N[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)s1.
What is the InChIKey of 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?
The InChIKey is DGCWVEOHKMAFTM-UVMNYOIOSA-N. The full InChI is InChI=1S/C20H20N2O6S/c23-9-13-16(25)17(26)18(27)19(28-13)22-20-21-8-14(29-20)15(24)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,13,16-19,23,25-27H,9H2,(H,21,22)/t13-,16-,17+,18+,19+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 416.46 g/mol, XLogP of 0.74, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71746043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).