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

C18H17N3OS — CID 24757796

IUPAC4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(N(C)C)cc3)cn12
InChIInChI=1S/C18H17N3OS/c1-20(2)13-6-4-12(5-7-13)15-11-21-16-9-8-14(22-3)10-17(16)23-18(21)19-15/h4-11H,1-3H3
InChIKeyXIYUSRCHXBJSRV-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.29
Rot. Bonds3

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

4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline (PubChem CID 24757796) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline
PubChem CID24757796
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(N(C)C)cc3)cn12
InChIInChI=1S/C18H17N3OS/c1-20(2)13-6-4-12(5-7-13)15-11-21-16-9-8-14(22-3)10-17(16)23-18(21)19-15/h4-11H,1-3H3
InChIKeyXIYUSRCHXBJSRV-UHFFFAOYSA-N
XLogP4.29
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
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,N-dimethylaniline?
The IUPAC name of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline (CID 24757796) is 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline is COc1ccc2c(c1)sc1nc(-c3ccc(N(C)C)cc3)cn12.
What is the InChIKey of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline?
The InChIKey is XIYUSRCHXBJSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-20(2)13-6-4-12(5-7-13)15-11-21-16-9-8-14(22-3)10-17(16)23-18(21)19-15/h4-11H,1-3H3.
What are the key properties of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline?
4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N,N-dimethylaniline has a molecular weight of 323.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 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,N-dimethylaniline is sourced from PubChem (CID 24757796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).