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

C18H17N3OS2 — CID 108779484

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(Nc3nc4ccc(CC)cc4s3)sc2c1
InChIInChI=1S/C18H17N3OS2/c1-3-11-5-7-13-15(9-11)23-17(19-13)21-18-20-14-8-6-12(22-4-2)10-16(14)24-18/h5-10H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyQBOHAVWNBNVVGD-UHFFFAOYSA-N
MW355.49 g/mol
LogP5.61
Rot. Bonds5

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

N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine (PubChem CID 108779484) has the molecular formula C18H17N3OS2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
PubChem CID108779484
Molecular FormulaC18H17N3OS2
Molecular Weight355.49 g/mol
Exact Mass355.08
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine
SMILESCCOc1ccc2nc(Nc3nc4ccc(CC)cc4s3)sc2c1
InChIInChI=1S/C18H17N3OS2/c1-3-11-5-7-13-15(9-11)23-17(19-13)21-18-20-14-8-6-12(22-4-2)10-16(14)24-18/h5-10H,3-4H2,1-2H3,(H,19,20,21)
InChIKeyQBOHAVWNBNVVGD-UHFFFAOYSA-N
XLogP5.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]furan-2-carboxylic acid
CID 62206527
N-(5-bromopyrimidin-2-yl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 63874590
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluoro-1,3-benzothiazol-2-amine
CID 7109945
2-N-(6-ethoxy-1,3-benzothiazol-2-yl)pyrimidine-2,4-diamine
CID 116796248
N-(3-ethoxyphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 53414475
N-(2,4-dibromophenyl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908770
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
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
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyrazine-2-carbonitrile
CID 62684349
6-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]pyridine-2-carbonitrile
CID 64587663

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine (CID 108779484) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine is CCOc1ccc2nc(Nc3nc4ccc(CC)cc4s3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine?
The InChIKey is QBOHAVWNBNVVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS2/c1-3-11-5-7-13-15(9-11)23-17(19-13)21-18-20-14-8-6-12(22-4-2)10-16(14)24-18/h5-10H,3-4H2,1-2H3,(H,19,20,21).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine has a molecular weight of 355.49 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-ethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 108779484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).