7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol

C10H17FN2O3S — CID 137029806

IUPAC7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
SMILESC/N=C1/NC2C(OC(C(C)(C)O)C(O)C2F)S1
InChIInChI=1S/C10H17FN2O3S/c1-10(2,15)7-6(14)4(11)5-8(16-7)17-9(12-3)13-5/h4-8,14-15H,1-3H3,(H,12,13)
InChIKeyIKBRSUKTDUXJPM-UHFFFAOYSA-N
MW264.32 g/mol
LogP-0.13
Rot. Bonds1

About 7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol

7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol (PubChem CID 137029806) has the molecular formula C10H17FN2O3S and a molecular weight of 264.32 g/mol. Its IUPAC name is 7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol.

Molecular Properties

Compound Name7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
PubChem CID137029806
Molecular FormulaC10H17FN2O3S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
SMILESC/N=C1/NC2C(OC(C(C)(C)O)C(O)C2F)S1
InChIInChI=1S/C10H17FN2O3S/c1-10(2,15)7-6(14)4(11)5-8(16-7)17-9(12-3)13-5/h4-8,14-15H,1-3H3,(H,12,13)
InChIKeyIKBRSUKTDUXJPM-UHFFFAOYSA-N
XLogP-0.13
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol with MolForge

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Related Compounds

(3aR,5R,6R,7S,7aR)-5-ethyl-7-fluoro-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
CID 136607178
5-(difluoromethyl)-7-fluoro-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
CID 137060650
(3aR,5R,6R,7S,7aR)-7-fluoro-5-(1-hydroxyethyl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
CID 147453692
(3aR,5R,6R,7R,7aR)-5-[(S)-cyclobutyl(hydroxy)methyl]-7-fluoro-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
CID 136607190
2-ethylimino-5-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 136506867
(3aR,5R,6S,7R,7aR)-5-ethyl-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 136661808
(3aR,5S,6R,7R,7aR)-2-ethylimino-7-fluoro-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
CID 137161784
5-(2-fluoropropan-2-yl)-2-propylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 137018947
5-[(cyclopentylamino)methyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 137091810
(3aR,5R,6R,7S,7aR)-2-ethylimino-7-fluoro-5-(1-hydroxyethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol
CID 137176883
(3aR,6S,7aR)-2-methylimino-5-[(prop-2-enylamino)methyl]-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol
CID 137141098
(3aR,5S,7S,7aR)-5-[(cyclobutylamino)methyl]-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-7-ol
CID 137141078

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol?
The IUPAC name of 7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol (CID 137029806) is 7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol.
What is the SMILES notation for 7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol?
The canonical SMILES for 7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol is C/N=C1/NC2C(OC(C(C)(C)O)C(O)C2F)S1.
What is the InChIKey of 7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol?
The InChIKey is IKBRSUKTDUXJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O3S/c1-10(2,15)7-6(14)4(11)5-8(16-7)17-9(12-3)13-5/h4-8,14-15H,1-3H3,(H,12,13).
What are the key properties of 7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol?
7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol has a molecular weight of 264.32 g/mol, XLogP of -0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(2-hydroxypropan-2-yl)-2-methylimino-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazol-6-ol is sourced from PubChem (CID 137029806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).