N-(3-ethylphenyl)-1,3-benzothiazol-2-amine

C15H14N2S — CID 4962098

IUPACN-(3-ethylphenyl)-1,3-benzothiazol-2-amine
SMILESCCc1cccc(Nc2nc3ccccc3s2)c1
InChIInChI=1S/C15H14N2S/c1-2-11-6-5-7-12(10-11)16-15-17-13-8-3-4-9-14(13)18-15/h3-10H,2H2,1H3,(H,16,17)
InChIKeyXSXDEBXZYZIMOY-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.60
Rot. Bonds3

About N-(3-ethylphenyl)-1,3-benzothiazol-2-amine

N-(3-ethylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 4962098) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(3-ethylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-ethylphenyl)-1,3-benzothiazol-2-amine
PubChem CID4962098
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC NameN-(3-ethylphenyl)-1,3-benzothiazol-2-amine
SMILESCCc1cccc(Nc2nc3ccccc3s2)c1
InChIInChI=1S/C15H14N2S/c1-2-11-6-5-7-12(10-11)16-15-17-13-8-3-4-9-14(13)18-15/h3-10H,2H2,1H3,(H,16,17)
InChIKeyXSXDEBXZYZIMOY-UHFFFAOYSA-N
XLogP4.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzo(d)thiazol-2-amine
CID 8706
2-Amino-6-methylbenzothiazole
CID 17335
2-(4-Aminophenyl)-6-methylbenzothiazole
CID 7087
Ska-31
CID 94880
Benzthiazuron
CID 16007
2-(4-Aminophenyl)benzothiazole
CID 234475
2-Phenylbenzothiazole
CID 13439
2-Amino-4-methylbenzothiazole
CID 15132
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122
2-Amino-5,6-dimethylbenzothiazole
CID 34757
6-Ethyl-1,3-benzothiazol-2-amine
CID 773093
N-(4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 2360905

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-ethylphenyl)-1,3-benzothiazol-2-amine (CID 4962098) is N-(3-ethylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-ethylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-ethylphenyl)-1,3-benzothiazol-2-amine is CCc1cccc(Nc2nc3ccccc3s2)c1.
What is the InChIKey of N-(3-ethylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is XSXDEBXZYZIMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-2-11-6-5-7-12(10-11)16-15-17-13-8-3-4-9-14(13)18-15/h3-10H,2H2,1H3,(H,16,17).
What are the key properties of N-(3-ethylphenyl)-1,3-benzothiazol-2-amine?
N-(3-ethylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 254.36 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 4962098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).