2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol

C17H18N2O5S — CID 90657770

IUPAC2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol
SMILESOCC1OC(c2ccc3c(-c4nccs4)c[nH]c3c2)C(O)C(O)C1O
InChIInChI=1S/C17H18N2O5S/c20-7-12-13(21)14(22)15(23)16(24-12)8-1-2-9-10(6-19-11(9)5-8)17-18-3-4-25-17/h1-6,12-16,19-23H,7H2
InChIKeyNUZXOMGQIJLFGX-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.81
Rot. Bonds3

About 2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol

2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol (PubChem CID 90657770) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol
PubChem CID90657770
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC Name2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol
SMILESOCC1OC(c2ccc3c(-c4nccs4)c[nH]c3c2)C(O)C(O)C1O
InChIInChI=1S/C17H18N2O5S/c20-7-12-13(21)14(22)15(23)16(24-12)8-1-2-9-10(6-19-11(9)5-8)17-18-3-4-25-17/h1-6,12-16,19-23H,7H2
InChIKeyNUZXOMGQIJLFGX-UHFFFAOYSA-N
XLogP0.81
TPSA118.83 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol with MolForge

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Related Compounds

(2S,3R,4R,5S,6R)-2-[3-(5-ethylthiophen-2-yl)-1H-indol-5-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 68629751
(2R,3S,4R)-2-(hydroxymethyl)-5-(2-iodo-4-pyridinyl)oxolane-3,4-diol
CID 90764255
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(6-thiophen-2-yl-3-pyridinyl)oxolane-3,4-diol
CID 53474730
2-(hydroxymethyl)-6-[4-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]phenyl]oxane-3,4,5-triol
CID 123302128
4-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridine-2-carboxamide
CID 91120633
(3S,6S)-2-(hydroxymethyl)-6-phenyloxane-3,4,5-triol
CID 134968723
(2R,3S,4R,5S)-2-(hydroxymethyl)-6-(3-hydroxyphenyl)oxane-3,4,5-triol
CID 71731174
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-thiophen-3-yloxane-3,4,5-triol
CID 102451889
(2R,3R,4R,5S,6S)-2-(4-bromophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 125425129
(2S,3R,4R,5S)-2-(4-chlorophenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 175028100
2-(hydroxymethyl)-6-(3-methylphenyl)oxane-3,4,5-triol
CID 123471125
2-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole
CID 166273321

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol (CID 90657770) is 2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol is OCC1OC(c2ccc3c(-c4nccs4)c[nH]c3c2)C(O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol?
The InChIKey is NUZXOMGQIJLFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c20-7-12-13(21)14(22)15(23)16(24-12)8-1-2-9-10(6-19-11(9)5-8)17-18-3-4-25-17/h1-6,12-16,19-23H,7H2.
What are the key properties of 2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol?
2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol has a molecular weight of 362.41 g/mol, XLogP of 0.81, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-[3-(1,3-thiazol-2-yl)-1H-indol-6-yl]oxane-3,4,5-triol is sourced from PubChem (CID 90657770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).