5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C19H24N4O2S — CID 7102290

IUPAC5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C19H24N4O2S/c1-11-5-7-15(8-6-11)16(22-9-12(2)25-13(3)10-22)17-18(24)23-19(26-17)20-14(4)21-23/h5-8,12-13,16,24H,9-10H2,1-4H3/t12-,13-,16+/m1/s1
InChIKeyHQVRCELBSBOAGY-IOASZLSFSA-N
MW372.49 g/mol
LogP3.31
Rot. Bonds3

About 5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 7102290) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID7102290
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C19H24N4O2S/c1-11-5-7-15(8-6-11)16(22-9-12(2)25-13(3)10-22)17-18(24)23-19(26-17)20-14(4)21-23/h5-8,12-13,16,24H,9-10H2,1-4H3/t12-,13-,16+/m1/s1
InChIKeyHQVRCELBSBOAGY-IOASZLSFSA-N
XLogP3.31
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 7102290) is 5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@@H](C)O[C@H](C)C2)cc1.
What is the InChIKey of 5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is HQVRCELBSBOAGY-IOASZLSFSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-11-5-7-15(8-6-11)16(22-9-12(2)25-13(3)10-22)17-18(24)23-19(26-17)20-14(4)21-23/h5-8,12-13,16,24H,9-10H2,1-4H3/t12-,13-,16+/m1/s1.
What are the key properties of 5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 372.49 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(S)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 7102290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).