4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid

C19H24N2O2S — CID 118243725

IUPAC4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid
SMILESCN(c1ccc(C(=O)O)cc1)c1nc2c(s1)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H24N2O2S/c1-18(2)10-11-19(3,4)15-14(18)20-17(24-15)21(5)13-8-6-12(7-9-13)16(22)23/h6-9H,10-11H2,1-5H3,(H,22,23)
InChIKeyRBLUDDYLMPSMFZ-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.96
Rot. Bonds3

About 4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid

4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid (PubChem CID 118243725) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid
PubChem CID118243725
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid
SMILESCN(c1ccc(C(=O)O)cc1)c1nc2c(s1)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H24N2O2S/c1-18(2)10-11-19(3,4)15-14(18)20-17(24-15)21(5)13-8-6-12(7-9-13)16(22)23/h6-9H,10-11H2,1-5H3,(H,22,23)
InChIKeyRBLUDDYLMPSMFZ-UHFFFAOYSA-N
XLogP4.96
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid with MolForge

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Related Compounds

5-(4-carboxy-N-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)anilino)furan-2-carboxylic acid
CID 118238636
sodium 4-[cyclopropyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoate
CID 122686176
4-[2-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)ethenyl]benzoic acid
CID 123247240
6-[cyclobutanecarbonyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]pyridin-1-ium-3-carboxylic acid
CID 144887607
methyl 4-[(5-hydroxy-4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)-methylamino]benzoate
CID 122686315
amino 6-[cyclopropyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]pyridine-3-carboxylate
CID 147233188
1-[6-[2-methylpropyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]-3-pyridinyl]ethanone
CID 146385143
N-cyclohepta-1,6-dien-1-yl-4,4,7,7-tetramethyl-N-(4-prop-1-en-2-ylphenyl)-5,6-dihydro-1,3-benzothiazol-2-amine
CID 146385117
4-[(3,4,4,7,7-pentamethyl-5,6-dihydro-1-benzothiophen-2-yl)-propan-2-ylamino]benzoic acid
CID 118238568
1-[4-[cyclopropylmethyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-methylphenyl]-2-hydroxy-2-phenylethanone
CID 122686453
N-benzyl-4,4,7,7-tetramethyl-N-(5-prop-1-en-2-yl-2-pyridinyl)-5,6-dihydro-1,3-benzothiazol-2-amine
CID 146385101
4-[2-(5,5,8,8-tetramethyl-6,7-dihydro-1,2,4-benzotriazin-3-yl)ethynyl]benzoic acid
CID 178096883

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid?
The IUPAC name of 4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid (CID 118243725) is 4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid.
What is the SMILES notation for 4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid?
The canonical SMILES for 4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid is CN(c1ccc(C(=O)O)cc1)c1nc2c(s1)C(C)(C)CCC2(C)C.
What is the InChIKey of 4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid?
The InChIKey is RBLUDDYLMPSMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-18(2)10-11-19(3,4)15-14(18)20-17(24-15)21(5)13-8-6-12(7-9-13)16(22)23/h6-9H,10-11H2,1-5H3,(H,22,23).
What are the key properties of 4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid?
4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid has a molecular weight of 344.48 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4,4,7,7-tetramethyl-5,6-dihydro-1,3-benzothiazol-2-yl)amino]benzoic acid is sourced from PubChem (CID 118243725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).