6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine

C13H15FN2OS — CID 113491209

IUPAC6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine
SMILESCC1(Nc2nc3ccc(F)cc3s2)CCOCC1
InChIInChI=1S/C13H15FN2OS/c1-13(4-6-17-7-5-13)16-12-15-10-3-2-9(14)8-11(10)18-12/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyMAJOCVZXXWJPAF-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.42
Rot. Bonds2

About 6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine

6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 113491209) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine
PubChem CID113491209
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine
SMILESCC1(Nc2nc3ccc(F)cc3s2)CCOCC1
InChIInChI=1S/C13H15FN2OS/c1-13(4-6-17-7-5-13)16-12-15-10-3-2-9(14)8-11(10)18-12/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyMAJOCVZXXWJPAF-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide
CID 146022316
6-chloro-N-(3-methyloxan-3-yl)-1,3-benzothiazol-2-amine
CID 114114194
N-(2,2-dimethylcyclohexyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79871977
N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143552
3-(6-fluoro-1,3-benzothiazol-2-yl)oxolan-3-amine
CID 79148500
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluoro-1,3-benzothiazol-2-amine
CID 105419340
6-ethoxy-N-(1-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79518738
6-fluoro-N-[2-(oxolan-3-yl)ethyl]-1,3-benzothiazol-2-amine
CID 114131519
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 7110038
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
cis-(1S,3R)-3-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95389450

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine (CID 113491209) is 6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine is CC1(Nc2nc3ccc(F)cc3s2)CCOCC1.
What is the InChIKey of 6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is MAJOCVZXXWJPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-13(4-6-17-7-5-13)16-12-15-10-3-2-9(14)8-11(10)18-12/h2-3,8H,4-7H2,1H3,(H,15,16).
What are the key properties of 6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 266.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-methyloxan-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 113491209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).