5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine

C14H10F2N2S — CID 43306938

IUPAC5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1cc(F)ccc1Nc1nc2cc(F)ccc2s1
InChIInChI=1S/C14H10F2N2S/c1-8-6-9(15)2-4-11(8)17-14-18-12-7-10(16)3-5-13(12)19-14/h2-7H,1H3,(H,17,18)
InChIKeyPHNJMGGUKQQTMD-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.63
Rot. Bonds2

About 5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine

5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 43306938) has the molecular formula C14H10F2N2S and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
PubChem CID43306938
Molecular FormulaC14H10F2N2S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1cc(F)ccc1Nc1nc2cc(F)ccc2s1
InChIInChI=1S/C14H10F2N2S/c1-8-6-9(15)2-4-11(8)17-14-18-12-7-10(16)3-5-13(12)19-14/h2-7H,1H3,(H,17,18)
InChIKeyPHNJMGGUKQQTMD-UHFFFAOYSA-N
XLogP4.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluoro-4-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 103586604
N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306893
5-fluoro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546794
N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306582
5-bromo-N-(2,4-dimethylphenyl)-1,3-benzothiazol-2-amine
CID 43306818
N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306998
5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine
CID 43306651
5-bromo-N-(2,5-difluoro-4-methylphenyl)-1,3-benzothiazol-2-amine
CID 103586612
5-bromo-N-(4-methoxy-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546804
N-(3-chloro-5-fluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 107368358
5-N-(4-fluoro-2-methylphenyl)-2-methyl-1,3-benzothiazole-5,6-diamine
CID 43450580
N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79766011

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine (CID 43306938) is 5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine is Cc1cc(F)ccc1Nc1nc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is PHNJMGGUKQQTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2S/c1-8-6-9(15)2-4-11(8)17-14-18-12-7-10(16)3-5-13(12)19-14/h2-7H,1H3,(H,17,18).
What are the key properties of 5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine?
5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 276.31 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(4-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).