2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole

C17H17NS — CID 135196378

IUPAC2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole
SMILESCc1cc(C)cc(-c2nc3c(C)ccc(C)c3s2)c1
InChIInChI=1S/C17H17NS/c1-10-7-11(2)9-14(8-10)17-18-15-12(3)5-6-13(4)16(15)19-17/h5-9H,1-4H3
InChIKeyUYHUPPATYPLLAW-UHFFFAOYSA-N
MW267.40 g/mol
LogP5.20
Rot. Bonds1

About 2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole

2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole (PubChem CID 135196378) has the molecular formula C17H17NS and a molecular weight of 267.40 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole
PubChem CID135196378
Molecular FormulaC17H17NS
Molecular Weight267.40 g/mol
Exact Mass267.11
IUPAC Name2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole
SMILESCc1cc(C)cc(-c2nc3c(C)ccc(C)c3s2)c1
InChIInChI=1S/C17H17NS/c1-10-7-11(2)9-14(8-10)17-18-15-12(3)5-6-13(4)16(15)19-17/h5-9H,1-4H3
InChIKeyUYHUPPATYPLLAW-UHFFFAOYSA-N
XLogP5.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.40
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,6-dimethyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole
CID 135196387
2-(4,5-dichlorothiophen-2-yl)-4,7-dimethyl-1,3-benzothiazole
CID 146181567
4-iodo-7-methyl-2-phenyl-1,3-benzothiazole
CID 163427383
(4,7-dimethyl-1,3-benzothiazol-2-yl)hydrazine
CID 2049854
7-methoxy-4-methyl-2-(4-nitrophenyl)-1,3-benzothiazole
CID 126501624
2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine
CID 118404990
4-(4-bromo-6-methyl-1,3-benzothiazol-2-yl)aniline
CID 84645770
2-(3,4-dimethoxyphenyl)-4,6-dimethyl-1,3-benzothiazole
CID 95909841
2-(3-methylphenyl)-1,3-benzothiazol-7-amine
CID 82231870
4-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzonitrile;4,7-dimethyl-2-(3-methyl-4-nitrophenyl)-1,3-benzothiazole;4,7-dimethyl-2-(4-nitrophenyl)-1,3-benzothiazole;4,7-dimethyl-2-phenyl-1,3-benzothiazole;4,7-dimethyl-2-thiophen-2-yl-1,3-benzothiazole
CID 159666953
N'-(4,7-dimethyl-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 82191548
2-(7-cyclohexyl-4-methyl-1-benzofuran-2-yl)-4,7-dimethyl-1,3-benzothiazole
CID 174276750

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole?
The IUPAC name of 2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole (CID 135196378) is 2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole?
The canonical SMILES for 2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole is Cc1cc(C)cc(-c2nc3c(C)ccc(C)c3s2)c1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole?
The InChIKey is UYHUPPATYPLLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS/c1-10-7-11(2)9-14(8-10)17-18-15-12(3)5-6-13(4)16(15)19-17/h5-9H,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole?
2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole has a molecular weight of 267.40 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-4,7-dimethyl-1,3-benzothiazole is sourced from PubChem (CID 135196378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).