(6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one

C7H11NO4S — CID 57404475

IUPAC(6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one
SMILESO=C1CS[C@H]2[C@@H](O)[C@@H](O)[C@H](O)CN12
InChIInChI=1S/C7H11NO4S/c9-3-1-8-4(10)2-13-7(8)6(12)5(3)11/h3,5-7,9,11-12H,1-2H2/t3-,5+,6+,7+/m1/s1
InChIKeyRHYZHAPAYLRGOC-DAXDWZTDSA-N
MW205.23 g/mol
LogP-2.02
Rot. Bonds

About (6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one

(6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one (PubChem CID 57404475) has the molecular formula C7H11NO4S and a molecular weight of 205.23 g/mol. Its IUPAC name is (6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one.

Molecular Properties

Compound Name(6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one
PubChem CID57404475
Molecular FormulaC7H11NO4S
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name(6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one
SMILESO=C1CS[C@H]2[C@@H](O)[C@@H](O)[C@H](O)CN12
InChIInChI=1S/C7H11NO4S/c9-3-1-8-4(10)2-13-7(8)6(12)5(3)11/h3,5-7,9,11-12H,1-2H2/t3-,5+,6+,7+/m1/s1
InChIKeyRHYZHAPAYLRGOC-DAXDWZTDSA-N
XLogP-2.02
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one?
The IUPAC name of (6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one (CID 57404475) is (6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one.
What is the SMILES notation for (6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one?
The canonical SMILES for (6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one is O=C1CS[C@H]2[C@@H](O)[C@@H](O)[C@H](O)CN12.
What is the InChIKey of (6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one?
The InChIKey is RHYZHAPAYLRGOC-DAXDWZTDSA-N. The full InChI is InChI=1S/C7H11NO4S/c9-3-1-8-4(10)2-13-7(8)6(12)5(3)11/h3,5-7,9,11-12H,1-2H2/t3-,5+,6+,7+/m1/s1.
What are the key properties of (6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one?
(6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one has a molecular weight of 205.23 g/mol, XLogP of -2.02, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,8S,8aS)-6,7,8-trihydroxy-6,7,8,8a-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one is sourced from PubChem (CID 57404475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).