7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine

C14H10Cl2N2OS — CID 107622332

IUPAC7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1cc(Nc2nc3cccc(Cl)c3s2)ccc1Cl
InChIInChI=1S/C14H10Cl2N2OS/c1-19-12-7-8(5-6-9(12)15)17-14-18-11-4-2-3-10(16)13(11)20-14/h2-7H,1H3,(H,17,18)
InChIKeyULSNBRRLFFRZPR-UHFFFAOYSA-N
MW325.22 g/mol
LogP5.36
Rot. Bonds3

About 7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine

7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine (PubChem CID 107622332) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is 7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine
PubChem CID107622332
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC Name7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine
SMILESCOc1cc(Nc2nc3cccc(Cl)c3s2)ccc1Cl
InChIInChI=1S/C14H10Cl2N2OS/c1-19-12-7-8(5-6-9(12)15)17-14-18-11-4-2-3-10(16)13(11)20-14/h2-7H,1H3,(H,17,18)
InChIKeyULSNBRRLFFRZPR-UHFFFAOYSA-N
XLogP5.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.22
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 43306672
7-chloro-N-(3-chloro-4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 43306199
7-chloro-N-(3-methylsulfanylphenyl)-1,3-benzothiazol-2-amine
CID 43306507
7-chloro-N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 43306686
7-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 14988135
7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306599
7-chloro-N-(2,3,5,6-tetrafluorophenyl)-1,3-benzothiazol-2-amine
CID 107645443
N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79128816
methyl 2-(4-chloro-3-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 107623558
7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine
CID 43305001
N-(4-chloro-1,3-benzothiazol-2-yl)-5,6-dimethoxy-1,3-benzothiazol-2-amine
CID 7513006
6-bromo-N-(3,4-dimethoxyphenyl)-1,3-benzothiazol-2-amine
CID 79524842

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine (CID 107622332) is 7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine is COc1cc(Nc2nc3cccc(Cl)c3s2)ccc1Cl.
What is the InChIKey of 7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is ULSNBRRLFFRZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c1-19-12-7-8(5-6-9(12)15)17-14-18-11-4-2-3-10(16)13(11)20-14/h2-7H,1H3,(H,17,18).
What are the key properties of 7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine?
7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 325.22 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(4-chloro-3-methoxyphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 107622332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).