N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine

C14H10ClFN2S — CID 43306392

IUPACN-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(NCc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C14H10ClFN2S/c15-10-3-1-9(2-4-10)8-17-14-18-12-7-11(16)5-6-13(12)19-14/h1-7H,8H2,(H,17,18)
InChIKeyDDEQAMIGNJYBAA-UHFFFAOYSA-N
MW292.77 g/mol
LogP4.70
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine

N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine (PubChem CID 43306392) has the molecular formula C14H10ClFN2S and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
PubChem CID43306392
Molecular FormulaC14H10ClFN2S
Molecular Weight292.77 g/mol
Exact Mass292.02
IUPAC NameN-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
SMILESFc1ccc2sc(NCc3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C14H10ClFN2S/c15-10-3-1-9(2-4-10)8-17-14-18-12-7-11(16)5-6-13(12)19-14/h1-7H,8H2,(H,17,18)
InChIKeyDDEQAMIGNJYBAA-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 54937620
6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 935527
N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine
CID 54937658
4-chloro-N-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]aniline
CID 60836038
2-N-[(4-chlorophenyl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63231401
6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 106900344
5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 62057975
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
5-fluoro-N-[2-(3-fluorophenyl)ethyl]-1,3-benzothiazol-2-amine
CID 43566520
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 106294883
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 106049307

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine (CID 43306392) is N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine is Fc1ccc2sc(NCc3ccc(Cl)cc3)nc2c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is DDEQAMIGNJYBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2S/c15-10-3-1-9(2-4-10)8-17-14-18-12-7-11(16)5-6-13(12)19-14/h1-7H,8H2,(H,17,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine?
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 292.77 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).