2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione

C16H14N2O2S — CID 511632

IUPAC2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione
SMILESCC1=C(Nc2ccc(C)cc2)C(=O)c2sc(C)nc2C1=O
InChIInChI=1S/C16H14N2O2S/c1-8-4-6-11(7-5-8)18-12-9(2)14(19)13-16(15(12)20)21-10(3)17-13/h4-7,18H,1-3H3
InChIKeySBWVXENYQXMRHO-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.53
Rot. Bonds2

About 2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione

2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione (PubChem CID 511632) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione.

Molecular Properties

Compound Name2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione
PubChem CID511632
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione
SMILESCC1=C(Nc2ccc(C)cc2)C(=O)c2sc(C)nc2C1=O
InChIInChI=1S/C16H14N2O2S/c1-8-4-6-11(7-5-8)18-12-9(2)14(19)13-16(15(12)20)21-10(3)17-13/h4-7,18H,1-3H3
InChIKeySBWVXENYQXMRHO-UHFFFAOYSA-N
XLogP3.53
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

Ryuvidine
CID 481747
N-(3-acetylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide
CID 850553
N-(2,4-dimethylphenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 8076096
2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 695122
2-Methyl-5-(4-methylphenyl)imino-1,3-benzothiazole-4,7-dione
CID 53711055
2-chloro-N-(4-methylphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 850698
(E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(4-toluidino)-2-propen-1-one
CID 5524550
2-chloro-4-methyl-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 850250
N-(4-acetamidophenyl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 9124218
2-Methyl-5-(phenylamino)benzothiazole-4,7-dione
CID 481744
5-[(4-Fluorophenyl)amino]-2-methylbenzothiazole-4,7-dione
CID 481745
5-[(4-Chlorophenyl)amino]-2-methylbenzothiazole-4,7-dione
CID 481746

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione?
The IUPAC name of 2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione (CID 511632) is 2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione.
What is the SMILES notation for 2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione?
The canonical SMILES for 2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione is CC1=C(Nc2ccc(C)cc2)C(=O)c2sc(C)nc2C1=O.
What is the InChIKey of 2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione?
The InChIKey is SBWVXENYQXMRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-8-4-6-11(7-5-8)18-12-9(2)14(19)13-16(15(12)20)21-10(3)17-13/h4-7,18H,1-3H3.
What are the key properties of 2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione?
2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione has a molecular weight of 298.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(4-methylanilino)-1,3-benzothiazole-4,7-dione is sourced from PubChem (CID 511632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).