N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine

C15H16N2S2 — CID 107803954

IUPACN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine
SMILESCc1cc(C(C)Nc2ccc3ncsc3c2)c(C)s1
InChIInChI=1S/C15H16N2S2/c1-9-6-13(11(3)19-9)10(2)17-12-4-5-14-15(7-12)18-8-16-14/h4-8,10,17H,1-3H3
InChIKeyOUTSLARTVQJGFE-UHFFFAOYSA-N
MW288.44 g/mol
LogP5.15
Rot. Bonds3

About N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine (PubChem CID 107803954) has the molecular formula C15H16N2S2 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine
PubChem CID107803954
Molecular FormulaC15H16N2S2
Molecular Weight288.44 g/mol
Exact Mass288.08
IUPAC NameN-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine
SMILESCc1cc(C(C)Nc2ccc3ncsc3c2)c(C)s1
InChIInChI=1S/C15H16N2S2/c1-9-6-13(11(3)19-9)10(2)17-12-4-5-14-15(7-12)18-8-16-14/h4-8,10,17H,1-3H3
InChIKeyOUTSLARTVQJGFE-UHFFFAOYSA-N
XLogP5.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-benzothiazol-6-amine
CID 107803759
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylaniline
CID 43104796
N-[1-(4-ethoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 107803950
N-(2-methylpentan-3-yl)-1,3-benzothiazol-6-amine
CID 107804012
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoroaniline
CID 43106448
N-[1-[4-(dimethylamino)phenyl]ethyl]-1,3-benzothiazol-6-amine
CID 103936344
5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol
CID 43743593
4-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-fluoroaniline
CID 43721303
3-(1,3-benzothiazol-6-ylamino)-2-methylbutanoic acid
CID 68784217
N-(1-ethylsulfonylpropan-2-yl)-1,3-benzothiazol-6-amine
CID 103936349
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-(1,3-thiazol-2-yl)aniline
CID 60936544
5-[1-(1,3-benzothiazol-6-ylamino)ethyl]furan-2-carboxylic acid
CID 107805884

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine (CID 107803954) is N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine is Cc1cc(C(C)Nc2ccc3ncsc3c2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine?
The InChIKey is OUTSLARTVQJGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S2/c1-9-6-13(11(3)19-9)10(2)17-12-4-5-14-15(7-12)18-8-16-14/h4-8,10,17H,1-3H3.
What are the key properties of N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine?
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine has a molecular weight of 288.44 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107803954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).