6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine

C14H11FN2OS — CID 17244955

IUPAC6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(OCc3ccc(F)cc3)cc2s1
InChIInChI=1S/C14H11FN2OS/c15-10-3-1-9(2-4-10)8-18-11-5-6-12-13(7-11)19-14(16)17-12/h1-7H,8H2,(H2,16,17)
InChIKeyNDVDOHMVEPXXSF-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.60
Rot. Bonds3

About 6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine

6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine (PubChem CID 17244955) has the molecular formula C14H11FN2OS and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
PubChem CID17244955
Molecular FormulaC14H11FN2OS
Molecular Weight274.32 g/mol
Exact Mass274.06
IUPAC Name6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
SMILESNc1nc2ccc(OCc3ccc(F)cc3)cc2s1
InChIInChI=1S/C14H11FN2OS/c15-10-3-1-9(2-4-10)8-18-11-5-6-12-13(7-11)19-14(16)17-12/h1-7H,8H2,(H2,16,17)
InChIKeyNDVDOHMVEPXXSF-UHFFFAOYSA-N
XLogP3.60
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
6-(6-phenylmethoxynaphthalen-2-yl)-1,3-benzothiazol-2-amine
CID 59282886
6-[(2-chloro-6-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
CID 162117514
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
4-chloro-N-[6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-yl]butanamide
CID 17244934
(2S)-2-bromo-N-[6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-yl]butanamide
CID 28662332
6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158
CID 158604119
CID 158604119
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
CID 89211366
2-amino-6-fluorosulfonyloxy-1,3-benzothiazole
CID 118566745
6-methoxy-1,3-benzothiazol-2-amine;6-methoxy-1,3-benzothiazole
CID 159412821

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine (CID 17244955) is 6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine is Nc1nc2ccc(OCc3ccc(F)cc3)cc2s1.
What is the InChIKey of 6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine?
The InChIKey is NDVDOHMVEPXXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS/c15-10-3-1-9(2-4-10)8-18-11-5-6-12-13(7-11)19-14(16)17-12/h1-7H,8H2,(H2,16,17).
What are the key properties of 6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine?
6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine has a molecular weight of 274.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 17244955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).