5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole

C14H9Cl2NS — CID 143753373

IUPAC5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(-c3cc(Cl)cc(Cl)c3)ccc2s1
InChIInChI=1S/C14H9Cl2NS/c1-8-17-13-6-9(2-3-14(13)18-8)10-4-11(15)7-12(16)5-10/h2-7H,1H3
InChIKeyQOODQVXNJYFWTC-UHFFFAOYSA-N
MW294.21 g/mol
LogP5.58
Rot. Bonds1

About 5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole

5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole (PubChem CID 143753373) has the molecular formula C14H9Cl2NS and a molecular weight of 294.21 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
PubChem CID143753373
Molecular FormulaC14H9Cl2NS
Molecular Weight294.21 g/mol
Exact Mass292.98
IUPAC Name5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole
SMILESCc1nc2cc(-c3cc(Cl)cc(Cl)c3)ccc2s1
InChIInChI=1S/C14H9Cl2NS/c1-8-17-13-6-9(2-3-14(13)18-8)10-4-11(15)7-12(16)5-10/h2-7H,1H3
InChIKeyQOODQVXNJYFWTC-UHFFFAOYSA-N
XLogP5.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.21
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
4-(2-methyl-1,3-benzothiazol-5-yl)aniline
CID 59283005
2-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)phenol
CID 155918906
1-[4-(2-methyl-1,3-benzothiazol-5-yl)phenyl]ethanol
CID 155495690
4-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155910195
2-methyl-5-pyridin-3-yl-1,3-benzothiazole
CID 24879647
5-(2-methyl-1,3-benzothiazol-5-yl)pyridin-2-amine
CID 155505909
6-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-2,4-diamine
CID 155910091
2-(2-methyl-1,3-benzothiazol-5-yl)pyrimidine-4,6-diamine
CID 21101301
4-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 155495503
2-methyl-5-(1-methylpyrazol-3-yl)-1,3-benzothiazole
CID 155914940
2-chloro-1,3-benzothiazole;5-chloro-2-methyl-1,3-benzothiazole
CID 23179407

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole?
The IUPAC name of 5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole (CID 143753373) is 5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole?
The canonical SMILES for 5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole is Cc1nc2cc(-c3cc(Cl)cc(Cl)c3)ccc2s1.
What is the InChIKey of 5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole?
The InChIKey is QOODQVXNJYFWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2NS/c1-8-17-13-6-9(2-3-14(13)18-8)10-4-11(15)7-12(16)5-10/h2-7H,1H3.
What are the key properties of 5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole?
5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole has a molecular weight of 294.21 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-2-methyl-1,3-benzothiazole is sourced from PubChem (CID 143753373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).