N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine

C17H19N3S — CID 103936344

IUPACN-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine
SMILESCC(Nc1ccc2ncsc2c1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H19N3S/c1-12(13-4-7-15(8-5-13)20(2)3)19-14-6-9-16-17(10-14)21-11-18-16/h4-12,19H,1-3H3
InChIKeyPKFKKMMKYHUFOE-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.54
Rot. Bonds4

About N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine

N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine (PubChem CID 103936344) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine
PubChem CID103936344
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine
SMILESCC(Nc1ccc2ncsc2c1)c1ccc(N(C)C)cc1
InChIInChI=1S/C17H19N3S/c1-12(13-4-7-15(8-5-13)20(2)3)19-14-6-9-16-17(10-14)21-11-18-16/h4-12,19H,1-3H3
InChIKeyPKFKKMMKYHUFOE-UHFFFAOYSA-N
XLogP4.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 107803950
4-[1-(1,3-benzothiazol-6-ylamino)ethyl]-2-methoxyphenol
CID 107803903
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803954
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803759
3-bromo-N-[1-[4-(dimethylamino)phenyl]ethyl]-4-methylaniline
CID 63462952
N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
CID 107804012
N-[1-[4-(dimethylamino)phenyl]ethyl]-5-methylpyridin-3-amine
CID 103932325
3-(1,3-benzothiazol-6-ylamino)-2-methylbutanoic acid
CID 68784217
N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 103936349
5-[1-(1,3-benzothiazol-6-ylamino)ethyl]furan-2-carboxylic acid
CID 107805884
N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine
CID 107803713
N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 113354920

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine (CID 103936344) is N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine is CC(Nc1ccc2ncsc2c1)c1ccc(N(C)C)cc1.
What is the InChIKey of N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine?
The InChIKey is PKFKKMMKYHUFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-12(13-4-7-15(8-5-13)20(2)3)19-14-6-9-16-17(10-14)21-11-18-16/h4-12,19H,1-3H3.
What are the key properties of N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine?
N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine has a molecular weight of 297.43 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 103936344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).