5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine

C15H12Cl2N2OS — CID 103293072

IUPAC5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1cccc(Cl)c1CNc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C15H12Cl2N2OS/c1-20-13-4-2-3-11(17)10(13)8-18-15-19-12-7-9(16)5-6-14(12)21-15/h2-7H,8H2,1H3,(H,18,19)
InChIKeyVBPHQOMEQXCQMF-UHFFFAOYSA-N
MW339.25 g/mol
LogP5.22
Rot. Bonds4

About 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine

5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 103293072) has the molecular formula C15H12Cl2N2OS and a molecular weight of 339.25 g/mol. Its IUPAC name is 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID103293072
Molecular FormulaC15H12Cl2N2OS
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1cccc(Cl)c1CNc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C15H12Cl2N2OS/c1-20-13-4-2-3-11(17)10(13)8-18-15-19-12-7-9(16)5-6-14(12)21-15/h2-7H,8H2,1H3,(H,18,19)
InChIKeyVBPHQOMEQXCQMF-UHFFFAOYSA-N
XLogP5.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.25
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-iodoaniline
CID 107632429
N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine
CID 54937658
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 103292824
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4,6-trifluoroaniline
CID 104816030
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906846
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 103934009
5-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 106375173
N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
CID 104815730
5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 43371237
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine (CID 103293072) is 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine is COc1cccc(Cl)c1CNc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is VBPHQOMEQXCQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2OS/c1-20-13-4-2-3-11(17)10(13)8-18-15-19-12-7-9(16)5-6-14(12)21-15/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine?
5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 339.25 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 103293072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).