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

C14H9Cl3N2S — CID 79146236

IUPAC4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(Nc3c(Cl)cc(Cl)cc3Cl)nc12
InChIInChI=1S/C14H9Cl3N2S/c1-7-3-2-4-11-12(7)18-14(20-11)19-13-9(16)5-8(15)6-10(13)17/h2-6H,1H3,(H,18,19)
InChIKeyDZMRXIUNHPWGGY-UHFFFAOYSA-N
MW343.67 g/mol
LogP6.31
Rot. Bonds2

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

4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine (PubChem CID 79146236) has the molecular formula C14H9Cl3N2S and a molecular weight of 343.67 g/mol. Its IUPAC name is 4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine
PubChem CID79146236
Molecular FormulaC14H9Cl3N2S
Molecular Weight343.67 g/mol
Exact Mass341.96
IUPAC Name4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc2sc(Nc3c(Cl)cc(Cl)cc3Cl)nc12
InChIInChI=1S/C14H9Cl3N2S/c1-7-3-2-4-11-12(7)18-14(20-11)19-13-9(16)5-8(15)6-10(13)17/h2-6H,1H3,(H,18,19)
InChIKeyDZMRXIUNHPWGGY-UHFFFAOYSA-N
XLogP6.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.67
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine (CID 79146236) is 4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine is Cc1cccc2sc(Nc3c(Cl)cc(Cl)cc3Cl)nc12.
What is the InChIKey of 4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine?
The InChIKey is DZMRXIUNHPWGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2S/c1-7-3-2-4-11-12(7)18-14(20-11)19-13-9(16)5-8(15)6-10(13)17/h2-6H,1H3,(H,18,19).
What are the key properties of 4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine?
4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine has a molecular weight of 343.67 g/mol, XLogP of 6.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79146236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).