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

C14H10ClIN2S — CID 107607244

IUPACN-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(Nc3ccc(I)cc3Cl)nc12
InChIInChI=1S/C14H10ClIN2S/c1-8-3-2-4-12-13(8)18-14(19-12)17-11-6-5-9(16)7-10(11)15/h2-7H,1H3,(H,17,18)
InChIKeyJRZDTIMMWRXJGR-UHFFFAOYSA-N
MW400.67 g/mol
LogP5.61
Rot. Bonds2

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

N-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine (PubChem CID 107607244) has the molecular formula C14H10ClIN2S and a molecular weight of 400.67 g/mol. Its IUPAC name is N-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine
PubChem CID107607244
Molecular FormulaC14H10ClIN2S
Molecular Weight400.67 g/mol
Exact Mass399.93
IUPAC NameN-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(Nc3ccc(I)cc3Cl)nc12
InChIInChI=1S/C14H10ClIN2S/c1-8-3-2-4-12-13(8)18-14(19-12)17-11-6-5-9(16)7-10(11)15/h2-7H,1H3,(H,17,18)
InChIKeyJRZDTIMMWRXJGR-UHFFFAOYSA-N
XLogP5.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.67
LogP ≤ 55.61
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

4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 79146236
N-(5-bromo-2-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146772
N-(1-benzofuran-2-yl)-4-methyl-1,3-benzothiazol-2-amine
CID 141408571
4-methyl-N-[2-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 78908729
N-(2,6-dibromo-4-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146492
N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 78908944
N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79147272
6-N-(2,4-dimethylphenyl)-4-N-(4-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19143328
N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide
CID 79129777
N-[2-chloro-5-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 4784751
4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 157119634
2-(2,6-dichlorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 4042100

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine (CID 107607244) is N-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine is Cc1cccc2sc(Nc3ccc(I)cc3Cl)nc12.
What is the InChIKey of N-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine?
The InChIKey is JRZDTIMMWRXJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIN2S/c1-8-3-2-4-12-13(8)18-14(19-12)17-11-6-5-9(16)7-10(11)15/h2-7H,1H3,(H,17,18).
What are the key properties of N-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine?
N-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine has a molecular weight of 400.67 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-iodophenyl)-4-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 107607244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).