7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine

C14H10Cl2N2S — CID 43306599

IUPAC7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1c(Cl)cccc1Nc1nc2cccc(Cl)c2s1
InChIInChI=1S/C14H10Cl2N2S/c1-8-9(15)4-2-6-11(8)17-14-18-12-7-3-5-10(16)13(12)19-14/h2-7H,1H3,(H,17,18)
InChIKeyLZIRYJYBWOEBQN-UHFFFAOYSA-N
MW309.22 g/mol
LogP5.66
Rot. Bonds2

About 7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine

7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 43306599) has the molecular formula C14H10Cl2N2S and a molecular weight of 309.22 g/mol. Its IUPAC name is 7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
PubChem CID43306599
Molecular FormulaC14H10Cl2N2S
Molecular Weight309.22 g/mol
Exact Mass307.99
IUPAC Name7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1c(Cl)cccc1Nc1nc2cccc(Cl)c2s1
InChIInChI=1S/C14H10Cl2N2S/c1-8-9(15)4-2-6-11(8)17-14-18-12-7-3-5-10(16)13(12)19-14/h2-7H,1H3,(H,17,18)
InChIKeyLZIRYJYBWOEBQN-UHFFFAOYSA-N
XLogP5.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.22
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine (CID 43306599) is 7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine is Cc1c(Cl)cccc1Nc1nc2cccc(Cl)c2s1.
What is the InChIKey of 7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is LZIRYJYBWOEBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2S/c1-8-9(15)4-2-6-11(8)17-14-18-12-7-3-5-10(16)13(12)19-14/h2-7H,1H3,(H,17,18).
What are the key properties of 7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine?
7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 309.22 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43306599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).