N-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline

C16H14N2S — CID 158212978

IUPACN-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline
SMILESCc1ccccc1NC=Cc1nc2ccccc2s1
InChIInChI=1S/C16H14N2S/c1-12-6-2-3-7-13(12)17-11-10-16-18-14-8-4-5-9-15(14)19-16/h2-11,17H,1H3
InChIKeyGCHLFVPHJOWIGB-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.69
Rot. Bonds3

About N-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline

N-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline (PubChem CID 158212978) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline
PubChem CID158212978
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline
SMILESCc1ccccc1NC=Cc1nc2ccccc2s1
InChIInChI=1S/C16H14N2S/c1-12-6-2-3-7-13(12)17-11-10-16-18-14-8-4-5-9-15(14)19-16/h2-11,17H,1H3
InChIKeyGCHLFVPHJOWIGB-UHFFFAOYSA-N
XLogP4.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-methoxyethenyl]-1,3-benzothiazole
CID 90475649
2-[2-(3,4,5-trimethylthiophen-2-yl)ethenyl]-1,3-benzothiazole
CID 72648028
N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
3-(1,3-benzothiazol-2-yl)-N-(4-fluoro-2-methylphenyl)prop-2-enamide
CID 4806053
2-[(1E)-buta-1,3-dienyl]-1,3-benzothiazole
CID 21425799
[2-(2,3-dimethylanilino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 7907527
2-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1,3-benzothiazole
CID 11790904
N-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enyl]hydroxylamine
CID 142937013
(E)-3-(1,3-benzothiazol-2-yl)-N-(2-tert-butylphenyl)prop-2-enamide
CID 7920135
4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]-N,N,2-trimethylaniline
CID 53315247
2-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenol
CID 135794308
4-[4-(1,3-benzothiazol-2-yl)buta-1,3-dienyl]-N-methylaniline
CID 73097732

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline (CID 158212978) is N-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline is Cc1ccccc1NC=Cc1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline?
The InChIKey is GCHLFVPHJOWIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-12-6-2-3-7-13(12)17-11-10-16-18-14-8-4-5-9-15(14)19-16/h2-11,17H,1H3.
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline?
N-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline has a molecular weight of 266.37 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)ethenyl]-2-methylaniline is sourced from PubChem (CID 158212978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).