N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine

C15H13ClN2S — CID 107637469

IUPACN-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc(Cl)c(Nc2nc3ccc(C)cc3s2)c1
InChIInChI=1S/C15H13ClN2S/c1-9-3-5-11(16)13(7-9)18-15-17-12-6-4-10(2)8-14(12)19-15/h3-8H,1-2H3,(H,17,18)
InChIKeyPZXVBAZWWWGWKR-UHFFFAOYSA-N
MW288.80 g/mol
LogP5.31
Rot. Bonds2

About N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine

N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 107637469) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
PubChem CID107637469
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC NameN-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc(Cl)c(Nc2nc3ccc(C)cc3s2)c1
InChIInChI=1S/C15H13ClN2S/c1-9-3-5-11(16)13(7-9)18-15-17-12-6-4-10(2)8-14(12)19-15/h3-8H,1-2H3,(H,17,18)
InChIKeyPZXVBAZWWWGWKR-UHFFFAOYSA-N
XLogP5.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.80
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
6-chloro-N-(2-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79528338
N-(4-bromo-2,3-dichlorophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107791695
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
2-chloro-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenecarbothioamide
CID 62501593
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
4-chloro-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 63516010
5-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 107926862
N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142921
N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine
CID 87379371
N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 43213686

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine (CID 107637469) is N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine is Cc1ccc(Cl)c(Nc2nc3ccc(C)cc3s2)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is PZXVBAZWWWGWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-9-3-5-11(16)13(7-9)18-15-17-12-6-4-10(2)8-14(12)19-15/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine?
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 288.80 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 107637469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).