4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline

C17H15N3OS — CID 51002649

IUPAC4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2cn3c(n2)sc2cc(OC)ccc23)cc1
InChIInChI=1S/C17H15N3OS/c1-18-12-5-3-11(4-6-12)14-10-20-15-8-7-13(21-2)9-16(15)22-17(20)19-14/h3-10,18H,1-2H3
InChIKeyZSLILWZEKOAVKQ-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.27
Rot. Bonds3

About 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline

4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline (PubChem CID 51002649) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline
PubChem CID51002649
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline
SMILESCNc1ccc(-c2cn3c(n2)sc2cc(OC)ccc23)cc1
InChIInChI=1S/C17H15N3OS/c1-18-12-5-3-11(4-6-12)14-10-20-15-8-7-13(21-2)9-16(15)22-17(20)19-14/h3-10,18H,1-2H3
InChIKeyZSLILWZEKOAVKQ-UHFFFAOYSA-N
XLogP4.27
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline?
The IUPAC name of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline (CID 51002649) is 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline.
What is the SMILES notation for 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline?
The canonical SMILES for 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline is CNc1ccc(-c2cn3c(n2)sc2cc(OC)ccc23)cc1.
What is the InChIKey of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline?
The InChIKey is ZSLILWZEKOAVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-18-12-5-3-11(4-6-12)14-10-20-15-8-7-13(21-2)9-16(15)22-17(20)19-14/h3-10,18H,1-2H3.
What are the key properties of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline?
4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline has a molecular weight of 309.39 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline is sourced from PubChem (CID 51002649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).