6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine

C18H16N4S — CID 108778366

IUPAC6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine
SMILESCCc1ccc2nc(Nc3nc4ccccc4nc3C)sc2c1
InChIInChI=1S/C18H16N4S/c1-3-12-8-9-15-16(10-12)23-18(21-15)22-17-11(2)19-13-6-4-5-7-14(13)20-17/h4-10H,3H2,1-2H3,(H,20,21,22)
InChIKeyXVBGPSRRMHKNJZ-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.85
Rot. Bonds3

About 6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine

6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 108778366) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is 6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine
PubChem CID108778366
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC Name6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine
SMILESCCc1ccc2nc(Nc3nc4ccccc4nc3C)sc2c1
InChIInChI=1S/C18H16N4S/c1-3-12-8-9-15-16(10-12)23-18(21-15)22-17-11(2)19-13-6-4-5-7-14(13)20-17/h4-10H,3H2,1-2H3,(H,20,21,22)
InChIKeyXVBGPSRRMHKNJZ-UHFFFAOYSA-N
XLogP4.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108778357
6-ethyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581598
1-N-(4,6-dimethylpyrimidin-2-yl)-4-N-(6-ethyl-1,3-benzothiazol-2-yl)benzene-1,4-diamine
CID 108777584
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
CID 108779484
ethyl 2-[(3-chloroquinoxalin-2-yl)amino]-1,3-benzothiazole-6-carboxylate
CID 108776103
6-ethyl-N-[(2-methyl-3-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 162380533
6-ethyl-2-phenyl-1,3-benzothiazole
CID 54858915
N-[(4-ethylphenyl)methyl]-3-methylquinoxalin-2-amine
CID 106900035
6-ethyl-N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 108771860
4-N-(1,3-benzothiazol-2-yl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544317
6-ethyl-N-(3-ethylsulfanyl-1H-1,2,4-triazol-5-yl)-1,3-benzothiazol-2-amine
CID 108773939
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine (CID 108778366) is 6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine is CCc1ccc2nc(Nc3nc4ccccc4nc3C)sc2c1.
What is the InChIKey of 6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is XVBGPSRRMHKNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-3-12-8-9-15-16(10-12)23-18(21-15)22-17-11(2)19-13-6-4-5-7-14(13)20-17/h4-10H,3H2,1-2H3,(H,20,21,22).
What are the key properties of 6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine?
6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 320.42 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(3-methylquinoxalin-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 108778366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).