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

C16H18N2O6S — CID 78167392

IUPACphenyl-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccccc1)c1cnc(NC2OC(CO)C(O)C(O)C2O)s1
InChIInChI=1S/C16H18N2O6S/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)
InChIKeyRPZYJKFUHREXIP-UHFFFAOYSA-N
MW366.40 g/mol
LogP-0.41
Rot. Bonds5

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

phenyl-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone (PubChem CID 78167392) has the molecular formula C16H18N2O6S and a molecular weight of 366.40 g/mol. Its IUPAC name is phenyl-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Namephenyl-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone
PubChem CID78167392
Molecular FormulaC16H18N2O6S
Molecular Weight366.40 g/mol
Exact Mass366.09
IUPAC Namephenyl-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1ccccc1)c1cnc(NC2OC(CO)C(O)C(O)C2O)s1
InChIInChI=1S/C16H18N2O6S/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)
InChIKeyRPZYJKFUHREXIP-UHFFFAOYSA-N
XLogP-0.41
TPSA132.14 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
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 phenyl-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone?
The IUPAC name of phenyl-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone (CID 78167392) is phenyl-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for phenyl-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for phenyl-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone is O=C(c1ccccc1)c1cnc(NC2OC(CO)C(O)C(O)C2O)s1.
What is the InChIKey of phenyl-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone?
The InChIKey is RPZYJKFUHREXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S/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).
What are the key properties of phenyl-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone?
phenyl-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone has a molecular weight of 366.40 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 phenyl-[2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 78167392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).