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

C14H10ClNS — CID 135074034

IUPAC2-(2-chlorophenyl)-5-methyl-1,3-benzothiazole
SMILESCc1ccc2sc(-c3ccccc3Cl)nc2c1
InChIInChI=1S/C14H10ClNS/c1-9-6-7-13-12(8-9)16-14(17-13)10-4-2-3-5-11(10)15/h2-8H,1H3
InChIKeyKOBOIFAAIRVLOZ-UHFFFAOYSA-N
MW259.76 g/mol
LogP4.93
Rot. Bonds1

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

2-(2-chlorophenyl)-5-methyl-1,3-benzothiazole (PubChem CID 135074034) has the molecular formula C14H10ClNS and a molecular weight of 259.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-methyl-1,3-benzothiazole
PubChem CID135074034
Molecular FormulaC14H10ClNS
Molecular Weight259.76 g/mol
Exact Mass259.02
IUPAC Name2-(2-chlorophenyl)-5-methyl-1,3-benzothiazole
SMILESCc1ccc2sc(-c3ccccc3Cl)nc2c1
InChIInChI=1S/C14H10ClNS/c1-9-6-7-13-12(8-9)16-14(17-13)10-4-2-3-5-11(10)15/h2-8H,1H3
InChIKeyKOBOIFAAIRVLOZ-UHFFFAOYSA-N
XLogP4.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-methyl-1,3-benzothiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-methyl-1,3-benzothiazole (CID 135074034) is 2-(2-chlorophenyl)-5-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-methyl-1,3-benzothiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-methyl-1,3-benzothiazole is Cc1ccc2sc(-c3ccccc3Cl)nc2c1.
What is the InChIKey of 2-(2-chlorophenyl)-5-methyl-1,3-benzothiazole?
The InChIKey is KOBOIFAAIRVLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNS/c1-9-6-7-13-12(8-9)16-14(17-13)10-4-2-3-5-11(10)15/h2-8H,1H3.
What are the key properties of 2-(2-chlorophenyl)-5-methyl-1,3-benzothiazole?
2-(2-chlorophenyl)-5-methyl-1,3-benzothiazole has a molecular weight of 259.76 g/mol, XLogP of 4.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-methyl-1,3-benzothiazole is sourced from PubChem (CID 135074034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).