4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-(111C)methylaniline

C17H15N3OS — CID 51002698

IUPAC4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-(111C)methylaniline
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(N[11CH3])cc3)cn12
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/i1-1
InChIKeyZSLILWZEKOAVKQ-BJUDXGSMSA-N
MW308.39 g/mol
LogP4.27
Rot. Bonds3

About 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-(111C)methylaniline

4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-(111C)methylaniline (PubChem CID 51002698) has the molecular formula C17H15N3OS and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-(111C)methylaniline.

Molecular Properties

Compound Name4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-(111C)methylaniline
PubChem CID51002698
Molecular FormulaC17H15N3OS
Molecular Weight308.39 g/mol
Exact Mass308.11
IUPAC Name4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-(111C)methylaniline
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(N[11CH3])cc3)cn12
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/i1-1
InChIKeyZSLILWZEKOAVKQ-BJUDXGSMSA-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 ≤ 500308.39
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-(111C)methylaniline?
The IUPAC name of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-(111C)methylaniline (CID 51002698) is 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-(111C)methylaniline.
What is the SMILES notation for 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-(111C)methylaniline?
The canonical SMILES for 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-(111C)methylaniline is COc1ccc2c(c1)sc1nc(-c3ccc(N[11CH3])cc3)cn12.
What is the InChIKey of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-(111C)methylaniline?
The InChIKey is ZSLILWZEKOAVKQ-BJUDXGSMSA-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/i1-1.
What are the key properties of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-(111C)methylaniline?
4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-(111C)methylaniline has a molecular weight of 308.39 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-(111C)methylaniline is sourced from PubChem (CID 51002698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).