N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine

C14H10FIN2S — CID 79766011

IUPACN-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(Nc3ccc(F)cc3I)sc2c1
InChIInChI=1S/C14H10FIN2S/c1-8-2-4-12-13(6-8)19-14(18-12)17-11-5-3-9(15)7-10(11)16/h2-7H,1H3,(H,17,18)
InChIKeyMEVSTUPIFSOCRZ-UHFFFAOYSA-N
MW384.22 g/mol
LogP5.09
Rot. Bonds2

About N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine

N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 79766011) has the molecular formula C14H10FIN2S and a molecular weight of 384.22 g/mol. Its IUPAC name is N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine
PubChem CID79766011
Molecular FormulaC14H10FIN2S
Molecular Weight384.22 g/mol
Exact Mass383.96
IUPAC NameN-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(Nc3ccc(F)cc3I)sc2c1
InChIInChI=1S/C14H10FIN2S/c1-8-2-4-12-13(6-8)19-14(18-12)17-11-5-3-9(15)7-10(11)16/h2-7H,1H3,(H,17,18)
InChIKeyMEVSTUPIFSOCRZ-UHFFFAOYSA-N
XLogP5.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.22
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-2-iodophenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79765855
6-methyl-N-(2,3,4-trimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 86577101
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
5-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 107926862
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
N-(2,6-dimethylphenyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79143552
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518712
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
N-(4-bromo-2,3-dichlorophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107791695

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine (CID 79766011) is N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine is Cc1ccc2nc(Nc3ccc(F)cc3I)sc2c1.
What is the InChIKey of N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is MEVSTUPIFSOCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FIN2S/c1-8-2-4-12-13(6-8)19-14(18-12)17-11-5-3-9(15)7-10(11)16/h2-7H,1H3,(H,17,18).
What are the key properties of N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine?
N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 384.22 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-iodophenyl)-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79766011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).