N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline

C19H19N3OS — CID 66803372

IUPACN-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
SMILESCCCOc1ccc2c(c1)sc1nc(-c3ccc(NC)cc3)cn12
InChIInChI=1S/C19H19N3OS/c1-3-10-23-15-8-9-17-18(11-15)24-19-21-16(12-22(17)19)13-4-6-14(20-2)7-5-13/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyXSTWCHFVADWHHF-UHFFFAOYSA-N
MW337.45 g/mol
LogP5.05
Rot. Bonds5

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

N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline (PubChem CID 66803372) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
PubChem CID66803372
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline
SMILESCCCOc1ccc2c(c1)sc1nc(-c3ccc(NC)cc3)cn12
InChIInChI=1S/C19H19N3OS/c1-3-10-23-15-8-9-17-18(11-15)24-19-21-16(12-22(17)19)13-4-6-14(20-2)7-5-13/h4-9,11-12,20H,3,10H2,1-2H3
InChIKeyXSTWCHFVADWHHF-UHFFFAOYSA-N
XLogP5.05
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-butoxyphenyl)-6-butylimidazo[2,1-b][1,3]benzothiazole
CID 19209873
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631
6-butyl-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole
CID 3968689
[4-[6-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
CID 151195996
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-[2-(iodoamino)ethoxy]imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
CID 166540436
1-[[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 154634259
4-[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 155816468
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
CID 66592491
N'-(5-tert-butyl-1,2-oxazol-3-yl)-N-[4-(6-methoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)phenyl]methanediamine
CID 155215032
N-butan-2-yl-2-(4-ethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523809
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-[6-(2-piperidin-1-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea;molecular hydrogen;propane
CID 142385766
1-(1,3-benzodioxol-5-yl)-3-[4-[6-(2-morpholin-4-ylethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl]urea
CID 68647943

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
The IUPAC name of N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline (CID 66803372) is N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline.
What is the SMILES notation for N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
The canonical SMILES for N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline is CCCOc1ccc2c(c1)sc1nc(-c3ccc(NC)cc3)cn12.
What is the InChIKey of N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
The InChIKey is XSTWCHFVADWHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-3-10-23-15-8-9-17-18(11-15)24-19-21-16(12-22(17)19)13-4-6-14(20-2)7-5-13/h4-9,11-12,20H,3,10H2,1-2H3.
What are the key properties of N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline?
N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline has a molecular weight of 337.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(6-propoxyimidazo[2,1-b][1,3]benzothiazol-2-yl)aniline is sourced from PubChem (CID 66803372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).