4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline

C13H11N3OS — CID 113305036

IUPAC4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
SMILESCOc1ccc(N)c(-c2nc3cccnc3s2)c1
InChIInChI=1S/C13H11N3OS/c1-17-8-4-5-10(14)9(7-8)12-16-11-3-2-6-15-13(11)18-12/h2-7H,14H2,1H3
InChIKeyMZSOUCNWLSQSMP-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.95
Rot. Bonds2

About 4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline

4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline (PubChem CID 113305036) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline.

Molecular Properties

Compound Name4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
PubChem CID113305036
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
SMILESCOc1ccc(N)c(-c2nc3cccnc3s2)c1
InChIInChI=1S/C13H11N3OS/c1-17-8-4-5-10(14)9(7-8)12-16-11-3-2-6-15-13(11)18-12/h2-7H,14H2,1H3
InChIKeyMZSOUCNWLSQSMP-UHFFFAOYSA-N
XLogP2.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-nitro-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
CID 65335840
4-bromo-2-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79512202
2,5-dimethoxy-N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 121024913
2-(3-ethylimidazo[4,5-b]pyridin-2-yl)-4-methoxyaniline
CID 115411352
4-methoxy-2-pyridin-3-ylaniline
CID 71445761
2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 23391283
4-iodo-2-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79512098
2-([1,3]thiazolo[5,4-b]pyridin-2-yl)benzene-1,4-diol
CID 136927565
2-amino-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenol
CID 136872164
5-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1H-pyrazol-3-amine
CID 66768027
N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride
CID 24736335
trimethyl([1,3]thiazolo[5,4-b]pyridin-2-yl)stannane
CID 143914856

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline?
The IUPAC name of 4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline (CID 113305036) is 4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline.
What is the SMILES notation for 4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline?
The canonical SMILES for 4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline is COc1ccc(N)c(-c2nc3cccnc3s2)c1.
What is the InChIKey of 4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline?
The InChIKey is MZSOUCNWLSQSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-17-8-4-5-10(14)9(7-8)12-16-11-3-2-6-15-13(11)18-12/h2-7H,14H2,1H3.
What are the key properties of 4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline?
4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline has a molecular weight of 257.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)aniline is sourced from PubChem (CID 113305036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).