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

C16H13N3OS — CID 51002697

IUPAC4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(N)cc3)cn12
InChIInChI=1S/C16H13N3OS/c1-20-12-6-7-14-15(8-12)21-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,17H2,1H3
InChIKeyKHYLQHLGCZVNML-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.81
Rot. Bonds2

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

4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline (PubChem CID 51002697) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline.

Molecular Properties

Compound Name4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
PubChem CID51002697
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(N)cc3)cn12
InChIInChI=1S/C16H13N3OS/c1-20-12-6-7-14-15(8-12)21-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,17H2,1H3
InChIKeyKHYLQHLGCZVNML-UHFFFAOYSA-N
XLogP3.81
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.81
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

1-[6-(5-Methoxypyridin-3-Yl)-1,3-Benzothiazol-2-Yl]-3-[2-(1-Propyl-1h-Imidazol-4-Yl)ethyl]urea
CID 73659199
6-Methoxy-N-(3-pyridinylmethyl)-2-benzothiazolamine
CID 834526
4-(7-Methoxyimidazo[2,1-b]benzothiazol-2-yl)-N,N-dimethyl-benzenamine
CID 24757796
4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)-N-methylaniline
CID 51002649
N-(2-aminoethyl)-4-(2-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093435
N-(2-aminoethyl)-4-(3-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093436
N-(2-aminoethyl)-4-(4-methoxyphenyl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093437
N-[3-(1H-imidazol-1-yl)propyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 6539205
6-methoxy-N-(4-(pyridin-4-yl)thiazol-2-yl)benzo[d]thiazol-2-amine
CID 7086347
6-(4-Methoxyphenyl)imidazo[2,1-b]thiazole
CID 369507
6-Methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazole
CID 657882
3-(7-methylimidazo[2,1-b][1,3]benzothiazol-2-yl)-2H-chromen-2-one
CID 767334

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
The IUPAC name of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline (CID 51002697) is 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline.
What is the SMILES notation for 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
The canonical SMILES for 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline is COc1ccc2c(c1)sc1nc(-c3ccc(N)cc3)cn12.
What is the InChIKey of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
The InChIKey is KHYLQHLGCZVNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-20-12-6-7-14-15(8-12)21-16-18-13(9-19(14)16)10-2-4-11(17)5-3-10/h2-9H,17H2,1H3.
What are the key properties of 4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline has a molecular weight of 295.37 g/mol, XLogP of 3.81, 2 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)aniline is sourced from PubChem (CID 51002697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).