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

C15H13ClN2S — CID 43213686

IUPACN-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(Nc3cccc(Cl)c3C)nc2c1
InChIInChI=1S/C15H13ClN2S/c1-9-6-7-14-13(8-9)18-15(19-14)17-12-5-3-4-11(16)10(12)2/h3-8H,1-2H3,(H,17,18)
InChIKeyCJHAYWBPYCSLCO-UHFFFAOYSA-N
MW288.80 g/mol
LogP5.31
Rot. Bonds2

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

N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine (PubChem CID 43213686) has the molecular formula C15H13ClN2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine
PubChem CID43213686
Molecular FormulaC15H13ClN2S
Molecular Weight288.80 g/mol
Exact Mass288.05
IUPAC NameN-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2sc(Nc3cccc(Cl)c3C)nc2c1
InChIInChI=1S/C15H13ClN2S/c1-9-6-7-14-13(8-9)18-15(19-14)17-12-5-3-4-11(16)10(12)2/h3-8H,1-2H3,(H,17,18)
InChIKeyCJHAYWBPYCSLCO-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

7-chloro-N-(3-chloro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 43306599
N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908946
N-(2,6-dichloro-4-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 83079004
N-(2,6-difluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 43307042
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
5-fluoro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 63546794
N-(2,3-dichlorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306998
N-(2,3-dichlorophenyl)-5-methoxy-1,3-benzothiazol-2-amine
CID 7513168
2-chloro-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenecarbothioamide
CID 62501593
5-methyl-N-(2,3,4-trifluorophenyl)-1,3-benzothiazol-2-amine
CID 43306651
N-(3-chloro-5-fluorophenyl)-5-methyl-1,3-benzothiazol-2-amine
CID 107368344

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine (CID 43213686) is N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine is Cc1ccc2sc(Nc3cccc(Cl)c3C)nc2c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine?
The InChIKey is CJHAYWBPYCSLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2S/c1-9-6-7-14-13(8-9)18-15(19-14)17-12-5-3-4-11(16)10(12)2/h3-8H,1-2H3,(H,17,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine?
N-(3-chloro-2-methylphenyl)-5-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-(3-chloro-2-methylphenyl)-5-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43213686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).