5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine

C12H15FN2S2 — CID 113494981

IUPAC5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine
SMILESCCC(CSC)Nc1nc2cc(F)ccc2s1
InChIInChI=1S/C12H15FN2S2/c1-3-9(7-16-2)14-12-15-10-6-8(13)4-5-11(10)17-12/h4-6,9H,3,7H2,1-2H3,(H,14,15)
InChIKeyQODXFZSYVNLICU-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.99
Rot. Bonds5

About 5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine

5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 113494981) has the molecular formula C12H15FN2S2 and a molecular weight of 270.40 g/mol. Its IUPAC name is 5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine
PubChem CID113494981
Molecular FormulaC12H15FN2S2
Molecular Weight270.40 g/mol
Exact Mass270.07
IUPAC Name5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine
SMILESCCC(CSC)Nc1nc2cc(F)ccc2s1
InChIInChI=1S/C12H15FN2S2/c1-3-9(7-16-2)14-12-15-10-6-8(13)4-5-11(10)17-12/h4-6,9H,3,7H2,1-2H3,(H,14,15)
InChIKeyQODXFZSYVNLICU-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 63958238
2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 61478157
2-N-(5-fluoro-1,3-benzothiazol-2-yl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61478242
5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 65048266
N-[1-(2-chlorophenyl)ethyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 63544982
4,5-dimethyl-N-(1-methylsulfanylbutan-2-yl)-1,3-thiazol-2-amine
CID 115899342
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306938
N-(3-ethylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306953
5-chloro-N-octan-4-yl-1,3-benzothiazol-2-amine
CID 106027403
5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 106294883
N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306893
ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate
CID 60810692

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine (CID 113494981) is 5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine is CCC(CSC)Nc1nc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is QODXFZSYVNLICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2S2/c1-3-9(7-16-2)14-12-15-10-6-8(13)4-5-11(10)17-12/h4-6,9H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine?
5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 270.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(1-methylsulfanylbutan-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 113494981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).