3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine

C18H16N4S — CID 155811697

IUPAC3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine
SMILESCN(C)c1ccc2cc(-c3nc4ccccc4s3)c(N)nc2c1
InChIInChI=1S/C18H16N4S/c1-22(2)12-8-7-11-9-13(17(19)20-15(11)10-12)18-21-14-5-3-4-6-16(14)23-18/h3-10H,1-2H3,(H2,19,20)
InChIKeyPEGBLFNGQYLMMI-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.16
Rot. Bonds2

About 3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine

3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine (PubChem CID 155811697) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine
PubChem CID155811697
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine
SMILESCN(C)c1ccc2cc(-c3nc4ccccc4s3)c(N)nc2c1
InChIInChI=1S/C18H16N4S/c1-22(2)12-8-7-11-9-13(17(19)20-15(11)10-12)18-21-14-5-3-4-6-16(14)23-18/h3-10H,1-2H3,(H2,19,20)
InChIKeyPEGBLFNGQYLMMI-UHFFFAOYSA-N
XLogP4.16
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3M-002
CID 10198719
(2-Methyl-thiazolo[4,5-h]quinazolin-8-yl)-phenyl-amine
CID 11346863
(R)-2-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)benzo[d]thiazole
CID 11603194
N2-Mesityl-N7,N7-dipropyl-1,3-benzothiazole-2,7-diamine
CID 58896519
4-Butylaminopyrimido[4',5':4,5]thieno(2,3-b)quinoline
CID 129851326
1-Amino-2-phenylthiazolo[3,2-a]quinolin-10-ium benzenesulfonate
CID 18558743
N4,N4-dimethyl-N2-((1S,3S)-3-(thiophen-3-ylmethylamino)cyclohexyl)quinoline-2,4-diamine
CID 44442071
Thiazolo(4,5-f)quinolin-2-amine
CID 132389
US10167270, Example 14
CID 8568031
N4-(4-(benzo[d]thiazol-2-yl)phenyl)-N2-methylpyridine-2,4-diamine
CID 44564705
Ccris 8512
CID 56841760
Guanidine, N-cyclohexyl-N'-(4,5-dimethyl-2-thiazolyl)-N''-(2-methyl-4-quinolinyl)-
CID 3054265

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine (CID 155811697) is 3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine is CN(C)c1ccc2cc(-c3nc4ccccc4s3)c(N)nc2c1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine?
The InChIKey is PEGBLFNGQYLMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-22(2)12-8-7-11-9-13(17(19)20-15(11)10-12)18-21-14-5-3-4-6-16(14)23-18/h3-10H,1-2H3,(H2,19,20).
What are the key properties of 3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine?
3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine has a molecular weight of 320.42 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-7-N,7-N-dimethylquinoline-2,7-diamine is sourced from PubChem (CID 155811697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).