2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole

C15H15NS — CID 143479628

IUPAC2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole
SMILESCc1ccc(C2(C)Nc3ccccc3S2)cc1
InChIInChI=1S/C15H15NS/c1-11-7-9-12(10-8-11)15(2)16-13-5-3-4-6-14(13)17-15/h3-10,16H,1-2H3
InChIKeyHGACCBJXHKWDEQ-UHFFFAOYSA-N
MW241.36 g/mol
LogP4.39
Rot. Bonds1

About 2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole

2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole (PubChem CID 143479628) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole.

Molecular Properties

Compound Name2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole
PubChem CID143479628
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC Name2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole
SMILESCc1ccc(C2(C)Nc3ccccc3S2)cc1
InChIInChI=1S/C15H15NS/c1-11-7-9-12(10-8-11)15(2)16-13-5-3-4-6-14(13)17-15/h3-10,16H,1-2H3
InChIKeyHGACCBJXHKWDEQ-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-3H-1,3-benzothiazole
CID 162547597
CID 7012356
CID 7012356
5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one
CID 45275938
(3R)-2,2,3-trimethyl-3,4-dihydro-1,4-benzothiazine
CID 177471247
2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 13293492
(3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
CID 102419415
2-methyl-2-phenyl-4H-1,4-benzothiazin-3-one
CID 13293493
spiro[3H-1,3-benzothiazole-2,1'-cycloheptane]
CID 691411
2-methyl-10H-phenothiazine
CID 611628
3,3-dimethyl-4H-1,4-benzothiazin-2-one
CID 115094877
4'-methylspiro[3H-1,3-benzothiazole-2,1'-cyclohexane]
CID 778034
2-methoxy-3H-1,3-benzothiazole-2-carbaldehyde
CID 174947594

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole?
The IUPAC name of 2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole (CID 143479628) is 2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole.
What is the SMILES notation for 2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole?
The canonical SMILES for 2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole is Cc1ccc(C2(C)Nc3ccccc3S2)cc1.
What is the InChIKey of 2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole?
The InChIKey is HGACCBJXHKWDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NS/c1-11-7-9-12(10-8-11)15(2)16-13-5-3-4-6-14(13)17-15/h3-10,16H,1-2H3.
What are the key properties of 2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole?
2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole has a molecular weight of 241.36 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylphenyl)-3H-1,3-benzothiazole is sourced from PubChem (CID 143479628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).