2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline

C14H10F2N2S — CID 79142624

IUPAC2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline
SMILESCc1ccc2nc(-c3cc(N)c(F)cc3F)sc2c1
InChIInChI=1S/C14H10F2N2S/c1-7-2-3-12-13(4-7)19-14(18-12)8-5-11(17)10(16)6-9(8)15/h2-6H,17H2,1H3
InChIKeyANIRAWRFSBGWEV-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.13
Rot. Bonds1

About 2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline

2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline (PubChem CID 79142624) has the molecular formula C14H10F2N2S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline.

Molecular Properties

Compound Name2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline
PubChem CID79142624
Molecular FormulaC14H10F2N2S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline
SMILESCc1ccc2nc(-c3cc(N)c(F)cc3F)sc2c1
InChIInChI=1S/C14H10F2N2S/c1-7-2-3-12-13(4-7)19-14(18-12)8-5-11(17)10(16)6-9(8)15/h2-6H,17H2,1H3
InChIKeyANIRAWRFSBGWEV-UHFFFAOYSA-N
XLogP4.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 114002272
6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole
CID 102236319
2-(2,6-difluorophenyl)-6-methyl-1,3-benzothiazole
CID 102236318
5-(5-chloro-1,3-benzothiazol-2-yl)-2,4-difluoroaniline
CID 54924634
2-(2-bromophenyl)-6-methyl-1,3-benzothiazole
CID 50849818
2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol
CID 136980092
2-(4-fluorophenyl)-6-methyl-1,3-benzothiazole
CID 25233596
2-fluoro-6-methyl-1,3-benzothiazole
CID 23270279
2-(6-methyl-1,3-benzothiazol-2-yl)benzene-1,3-diol
CID 136813339
6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023
4-fluoro-3-(6-methoxy-1,3-benzothiazol-2-yl)aniline
CID 79511099
2-chloro-6-methyl-1,3-benzothiazole
CID 2049866

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline?
The IUPAC name of 2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline (CID 79142624) is 2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline.
What is the SMILES notation for 2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline?
The canonical SMILES for 2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline is Cc1ccc2nc(-c3cc(N)c(F)cc3F)sc2c1.
What is the InChIKey of 2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline?
The InChIKey is ANIRAWRFSBGWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2S/c1-7-2-3-12-13(4-7)19-14(18-12)8-5-11(17)10(16)6-9(8)15/h2-6H,17H2,1H3.
What are the key properties of 2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline?
2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline has a molecular weight of 276.31 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(6-methyl-1,3-benzothiazol-2-yl)aniline is sourced from PubChem (CID 79142624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).