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

C15H13FN2S — CID 71628497

IUPACN-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCc3ccc(F)cc3)sc2c1
InChIInChI=1S/C15H13FN2S/c1-10-2-7-13-14(8-10)19-15(18-13)17-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKUPODGAYDQWTRX-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.36
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 71628497) has the molecular formula C15H13FN2S and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
PubChem CID71628497
Molecular FormulaC15H13FN2S
Molecular Weight272.35 g/mol
Exact Mass272.08
IUPAC NameN-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NCc3ccc(F)cc3)sc2c1
InChIInChI=1S/C15H13FN2S/c1-10-2-7-13-14(8-10)19-15(18-13)17-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,17,18)
InChIKeyKUPODGAYDQWTRX-UHFFFAOYSA-N
XLogP4.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 935527
4-[[(6-methyl-1,3-benzothiazol-2-yl)amino]methyl]benzonitrile
CID 79142596
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142176
1-(4-fluorophenyl)-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethanone
CID 110825424
6-ethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,3-benzothiazol-2-amine
CID 108775753
N,6-dibenzyl-1,3-benzothiazol-2-amine
CID 82548710
N-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142914
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392
N-[(4-fluorophenyl)methyl]-6-methyl-1H-benzimidazol-2-amine
CID 110376658
N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 54937620
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 106900344

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine (CID 71628497) is N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine is Cc1ccc2nc(NCc3ccc(F)cc3)sc2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is KUPODGAYDQWTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S/c1-10-2-7-13-14(8-10)19-15(18-13)17-9-11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine?
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 272.35 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 71628497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).