N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine

C18H20N2S — CID 107803713

IUPACN-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine
SMILESCCc1ccc(C(CC)Nc2ccc3ncsc3c2)cc1
InChIInChI=1S/C18H20N2S/c1-3-13-5-7-14(8-6-13)16(4-2)20-15-9-10-17-18(11-15)21-12-19-17/h5-12,16,20H,3-4H2,1-2H3
InChIKeyNHYOUTJJONSNQX-UHFFFAOYSA-N
MW296.44 g/mol
LogP5.42
Rot. Bonds5

About N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine

N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine (PubChem CID 107803713) has the molecular formula C18H20N2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine
PubChem CID107803713
Molecular FormulaC18H20N2S
Molecular Weight296.44 g/mol
Exact Mass296.13
IUPAC NameN-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine
SMILESCCc1ccc(C(CC)Nc2ccc3ncsc3c2)cc1
InChIInChI=1S/C18H20N2S/c1-3-13-5-7-14(8-6-13)16(4-2)20-15-9-10-17-18(11-15)21-12-19-17/h5-12,16,20H,3-4H2,1-2H3
InChIKeyNHYOUTJJONSNQX-UHFFFAOYSA-N
XLogP5.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.44
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
CID 107804012
2-[1-(1,3-benzothiazol-6-ylamino)propyl]-4-bromophenol
CID 107803859
N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 103936349
N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 107803950
3-bromo-N-[1-(4-ethylphenyl)propyl]-4-methylaniline
CID 63464250
N-(1-cyclopropylpropyl)-1,3-benzothiazol-6-amine
CID 115929163
3-(1,3-benzothiazol-6-ylamino)-3-phenylpropanenitrile
CID 107804835
N-[1-(4-ethylphenyl)propyl]-4-iodoaniline
CID 43310116
N-(1-methylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 113354920
2-chloro-4-[1-(4-ethylphenyl)propylamino]phenol
CID 107678033
N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine
CID 103936344
N-[1-(4-ethylphenyl)propyl]-3-fluoro-5-methylaniline
CID 79054688

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine (CID 107803713) is N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine is CCc1ccc(C(CC)Nc2ccc3ncsc3c2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine?
The InChIKey is NHYOUTJJONSNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2S/c1-3-13-5-7-14(8-6-13)16(4-2)20-15-9-10-17-18(11-15)21-12-19-17/h5-12,16,20H,3-4H2,1-2H3.
What are the key properties of N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine?
N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine has a molecular weight of 296.44 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)propyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107803713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).