(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol

C10H16N2O3S — CID 74232019

IUPAC(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol
SMILESC[C@]1(O)CCN(c2nc(CO)cs2)C[C@@H]1O
InChIInChI=1S/C10H16N2O3S/c1-10(15)2-3-12(4-8(10)14)9-11-7(5-13)6-16-9/h6,8,13-15H,2-5H2,1H3/t8-,10-/m0/s1
InChIKeyGDISKXNXJRESPM-WPRPVWTQSA-N
MW244.32 g/mol
LogP-0.04
Rot. Bonds2

About (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol

(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol (PubChem CID 74232019) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol
PubChem CID74232019
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol
SMILESC[C@]1(O)CCN(c2nc(CO)cs2)C[C@@H]1O
InChIInChI=1S/C10H16N2O3S/c1-10(15)2-3-12(4-8(10)14)9-11-7(5-13)6-16-9/h6,8,13-15H,2-5H2,1H3/t8-,10-/m0/s1
InChIKeyGDISKXNXJRESPM-WPRPVWTQSA-N
XLogP-0.04
TPSA76.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol?
The IUPAC name of (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol (CID 74232019) is (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol?
The canonical SMILES for (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol is C[C@]1(O)CCN(c2nc(CO)cs2)C[C@@H]1O.
What is the InChIKey of (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol?
The InChIKey is GDISKXNXJRESPM-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-10(15)2-3-12(4-8(10)14)9-11-7(5-13)6-16-9/h6,8,13-15H,2-5H2,1H3/t8-,10-/m0/s1.
What are the key properties of (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol?
(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol has a molecular weight of 244.32 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpiperidine-3,4-diol is sourced from PubChem (CID 74232019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).