4,5-dimethyl-2-phenyl-1,3-benzothiazole

C15H13NS — CID 141364490

IUPAC4,5-dimethyl-2-phenyl-1,3-benzothiazole
SMILESCc1ccc2sc(-c3ccccc3)nc2c1C
InChIInChI=1S/C15H13NS/c1-10-8-9-13-14(11(10)2)16-15(17-13)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyXBIRKSLDFHNFSA-UHFFFAOYSA-N
MW239.34 g/mol
LogP4.58
Rot. Bonds1

About 4,5-dimethyl-2-phenyl-1,3-benzothiazole

4,5-dimethyl-2-phenyl-1,3-benzothiazole (PubChem CID 141364490) has the molecular formula C15H13NS and a molecular weight of 239.34 g/mol. Its IUPAC name is 4,5-dimethyl-2-phenyl-1,3-benzothiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-phenyl-1,3-benzothiazole
PubChem CID141364490
Molecular FormulaC15H13NS
Molecular Weight239.34 g/mol
Exact Mass239.08
IUPAC Name4,5-dimethyl-2-phenyl-1,3-benzothiazole
SMILESCc1ccc2sc(-c3ccccc3)nc2c1C
InChIInChI=1S/C15H13NS/c1-10-8-9-13-14(11(10)2)16-15(17-13)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyXBIRKSLDFHNFSA-UHFFFAOYSA-N
XLogP4.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-4,5-dimethyl-1,3-benzothiazole
CID 175289709
4-amino-2-phenyl-1,3-benzothiazol-5-ol
CID 54396314
4-iodo-7-methyl-2-phenyl-1,3-benzothiazole
CID 163427383
4-chloro-2-(4-phenylphenyl)-1,3-benzothiazole
CID 50850199
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 148856781
2-[[4-methyl-2-(2-methyl-3-phenylphenyl)-1,3-benzothiazol-6-yl]methylamino]ethanol
CID 129137930
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-1,3-benzothiazole
CID 153310227
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023
8-chloro-2-phenylnaphtho[1,2-e][1,3]benzothiazole
CID 174323293
2-phenylnaphtho[1,2-e][1,3]benzothiazol-9-amine
CID 129095754
4-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-5-methyl-2-phenyl-1,3-benzothiazole
CID 161259732
phenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone
CID 135027581

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-phenyl-1,3-benzothiazole?
The IUPAC name of 4,5-dimethyl-2-phenyl-1,3-benzothiazole (CID 141364490) is 4,5-dimethyl-2-phenyl-1,3-benzothiazole.
What is the SMILES notation for 4,5-dimethyl-2-phenyl-1,3-benzothiazole?
The canonical SMILES for 4,5-dimethyl-2-phenyl-1,3-benzothiazole is Cc1ccc2sc(-c3ccccc3)nc2c1C.
What is the InChIKey of 4,5-dimethyl-2-phenyl-1,3-benzothiazole?
The InChIKey is XBIRKSLDFHNFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NS/c1-10-8-9-13-14(11(10)2)16-15(17-13)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 4,5-dimethyl-2-phenyl-1,3-benzothiazole?
4,5-dimethyl-2-phenyl-1,3-benzothiazole has a molecular weight of 239.34 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-phenyl-1,3-benzothiazole is sourced from PubChem (CID 141364490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).