(3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol

C10H17FN2O3S — CID 71152482

IUPAC(3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol
SMILESC[C@H](O)[C@H]1O[C@@H]2SC(N(C)C)=N[C@@H]2[C@@H](F)[C@@H]1O
InChIInChI=1S/C10H17FN2O3S/c1-4(14)8-7(15)5(11)6-9(16-8)17-10(12-6)13(2)3/h4-9,14-15H,1-3H3/t4-,5+,6+,7-,8+,9+/m0/s1
InChIKeyAZELLSBKKCSFGM-LHCONQACSA-N
MW264.32 g/mol
LogP-0.18
Rot. Bonds1

About (3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol

(3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol (PubChem CID 71152482) has the molecular formula C10H17FN2O3S and a molecular weight of 264.32 g/mol. Its IUPAC name is (3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol.

Molecular Properties

Compound Name(3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol
PubChem CID71152482
Molecular FormulaC10H17FN2O3S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name(3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol
SMILESC[C@H](O)[C@H]1O[C@@H]2SC(N(C)C)=N[C@@H]2[C@@H](F)[C@@H]1O
InChIInChI=1S/C10H17FN2O3S/c1-4(14)8-7(15)5(11)6-9(16-8)17-10(12-6)13(2)3/h4-9,14-15H,1-3H3/t4-,5+,6+,7-,8+,9+/m0/s1
InChIKeyAZELLSBKKCSFGM-LHCONQACSA-N
XLogP-0.18
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol?
The IUPAC name of (3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol (CID 71152482) is (3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol.
What is the SMILES notation for (3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol?
The canonical SMILES for (3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol is C[C@H](O)[C@H]1O[C@@H]2SC(N(C)C)=N[C@@H]2[C@@H](F)[C@@H]1O.
What is the InChIKey of (3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol?
The InChIKey is AZELLSBKKCSFGM-LHCONQACSA-N. The full InChI is InChI=1S/C10H17FN2O3S/c1-4(14)8-7(15)5(11)6-9(16-8)17-10(12-6)13(2)3/h4-9,14-15H,1-3H3/t4-,5+,6+,7-,8+,9+/m0/s1.
What are the key properties of (3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol?
(3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol has a molecular weight of 264.32 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6R,7R,7aR)-2-(dimethylamino)-7-fluoro-5-[(1S)-1-hydroxyethyl]-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazol-6-ol is sourced from PubChem (CID 71152482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).