5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline

C14H11ClN2S — CID 43305050

IUPAC5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline
SMILESCc1ccc2sc(-c3ccc(Cl)cc3N)nc2c1
InChIInChI=1S/C14H11ClN2S/c1-8-2-5-13-12(6-8)17-14(18-13)10-4-3-9(15)7-11(10)16/h2-7H,16H2,1H3
InChIKeyOYSCZNBCMZCYLG-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.51
Rot. Bonds1

About 5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline

5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline (PubChem CID 43305050) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is 5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline
PubChem CID43305050
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC Name5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline
SMILESCc1ccc2sc(-c3ccc(Cl)cc3N)nc2c1
InChIInChI=1S/C14H11ClN2S/c1-8-2-5-13-12(6-8)17-14(18-13)10-4-3-9(15)7-11(10)16/h2-7H,16H2,1H3
InChIKeyOYSCZNBCMZCYLG-UHFFFAOYSA-N
XLogP4.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5-methyl-1,3-benzothiazol-2-yl)-5-(trifluoromethyl)aniline
CID 79530408
3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine
CID 43305013
3,4-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 63021388
5-chloro-2-(2-methylphenyl)-1,3-benzothiazole
CID 135074846
5-(5-chloro-1,3-benzothiazol-2-yl)-2,4-difluoroaniline
CID 54924634
3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol
CID 136750938
6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole
CID 102236319
4-methyl-5-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine
CID 43305023
5-(5-methyl-1,3-benzothiazol-2-yl)-1H-pyrazol-3-amine
CID 64526919
2-(2-bromophenyl)-5-methyl-1,3-benzothiazole
CID 174756621
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
4,5-dimethyl-3-(5-methyl-1,3-benzothiazol-2-yl)thiophen-2-amine
CID 43305024

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline?
The IUPAC name of 5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline (CID 43305050) is 5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline.
What is the SMILES notation for 5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline?
The canonical SMILES for 5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline is Cc1ccc2sc(-c3ccc(Cl)cc3N)nc2c1.
What is the InChIKey of 5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline?
The InChIKey is OYSCZNBCMZCYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c1-8-2-5-13-12(6-8)17-14(18-13)10-4-3-9(15)7-11(10)16/h2-7H,16H2,1H3.
What are the key properties of 5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline?
5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline has a molecular weight of 274.78 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline is sourced from PubChem (CID 43305050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).