2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline

C13H13N3OS — CID 52903494

IUPAC2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline
SMILESCOc1ccc(-c2cn3c(C)csc3n2)cc1N
InChIInChI=1S/C13H13N3OS/c1-8-7-18-13-15-11(6-16(8)13)9-3-4-12(17-2)10(14)5-9/h3-7H,14H2,1-2H3
InChIKeyIFULOEARQTUTRV-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.96
Rot. Bonds2

About 2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline

2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline (PubChem CID 52903494) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline
PubChem CID52903494
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline
SMILESCOc1ccc(-c2cn3c(C)csc3n2)cc1N
InChIInChI=1S/C13H13N3OS/c1-8-7-18-13-15-11(6-16(8)13)9-3-4-12(17-2)10(14)5-9/h3-7H,14H2,1-2H3
InChIKeyIFULOEARQTUTRV-UHFFFAOYSA-N
XLogP2.96
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline?
The IUPAC name of 2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline (CID 52903494) is 2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline.
What is the SMILES notation for 2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline?
The canonical SMILES for 2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline is COc1ccc(-c2cn3c(C)csc3n2)cc1N.
What is the InChIKey of 2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline?
The InChIKey is IFULOEARQTUTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-8-7-18-13-15-11(6-16(8)13)9-3-4-12(17-2)10(14)5-9/h3-7H,14H2,1-2H3.
What are the key properties of 2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline?
2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline has a molecular weight of 259.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)aniline is sourced from PubChem (CID 52903494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).