[(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol

C7H13NOS — CID 97297596

IUPAC[(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol
SMILESOC[C@@H]1C[C@H]2CSCN2C1
InChIInChI=1S/C7H13NOS/c9-3-6-1-7-4-10-5-8(7)2-6/h6-7,9H,1-5H2/t6-,7+/m1/s1
InChIKeyQBQWMARPHVMZOD-RQJHMYQMSA-N
MW159.25 g/mol
LogP0.37
Rot. Bonds1

About [(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol

[(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol (PubChem CID 97297596) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is [(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol.

Molecular Properties

Compound Name[(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol
PubChem CID97297596
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name[(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol
SMILESOC[C@@H]1C[C@H]2CSCN2C1
InChIInChI=1S/C7H13NOS/c9-3-6-1-7-4-10-5-8(7)2-6/h6-7,9H,1-5H2/t6-,7+/m1/s1
InChIKeyQBQWMARPHVMZOD-RQJHMYQMSA-N
XLogP0.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol?
The IUPAC name of [(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol (CID 97297596) is [(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol.
What is the SMILES notation for [(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol?
The canonical SMILES for [(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol is OC[C@@H]1C[C@H]2CSCN2C1.
What is the InChIKey of [(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol?
The InChIKey is QBQWMARPHVMZOD-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13NOS/c9-3-6-1-7-4-10-5-8(7)2-6/h6-7,9H,1-5H2/t6-,7+/m1/s1.
What are the key properties of [(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol?
[(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol has a molecular weight of 159.25 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,7aS)-1,3,5,6,7,7a-hexahydropyrrolo[1,2-c][1,3]thiazol-6-yl]methanol is sourced from PubChem (CID 97297596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).