4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline

C19H22N4O2S — CID 134817201

IUPAC4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline
SMILESCOc1cc(-c2cnc3c(N4C[C@@H](C)O[C@@H](C)C4)snc3c2)ccc1N
InChIInChI=1S/C19H22N4O2S/c1-11-9-23(10-12(2)25-11)19-18-16(22-26-19)6-14(8-21-18)13-4-5-15(20)17(7-13)24-3/h4-8,11-12H,9-10,20H2,1-3H3/t11-,12+
InChIKeyVOFMQYIALBSDFI-TXEJJXNPSA-N
MW370.48 g/mol
LogP3.56
Rot. Bonds3

About 4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline

4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline (PubChem CID 134817201) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline.

Molecular Properties

Compound Name4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline
PubChem CID134817201
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline
SMILESCOc1cc(-c2cnc3c(N4C[C@@H](C)O[C@@H](C)C4)snc3c2)ccc1N
InChIInChI=1S/C19H22N4O2S/c1-11-9-23(10-12(2)25-11)19-18-16(22-26-19)6-14(8-21-18)13-4-5-15(20)17(7-13)24-3/h4-8,11-12H,9-10,20H2,1-3H3/t11-,12+
InChIKeyVOFMQYIALBSDFI-TXEJJXNPSA-N
XLogP3.56
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline?
The IUPAC name of 4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline (CID 134817201) is 4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline.
What is the SMILES notation for 4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline?
The canonical SMILES for 4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline is COc1cc(-c2cnc3c(N4C[C@@H](C)O[C@@H](C)C4)snc3c2)ccc1N.
What is the InChIKey of 4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline?
The InChIKey is VOFMQYIALBSDFI-TXEJJXNPSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-11-9-23(10-12(2)25-11)19-18-16(22-26-19)6-14(8-21-18)13-4-5-15(20)17(7-13)24-3/h4-8,11-12H,9-10,20H2,1-3H3/t11-,12+.
What are the key properties of 4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline?
4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline has a molecular weight of 370.48 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]thiazolo[4,3-b]pyridin-6-yl]-2-methoxyaniline is sourced from PubChem (CID 134817201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).