2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide

C25H24N2OS — CID 59232817

IUPAC2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
SMILESCc1cccc2sc(NC(=O)C(C)(C)C(c3ccccc3)c3ccccc3)nc12
InChIInChI=1S/C25H24N2OS/c1-17-11-10-16-20-22(17)26-24(29-20)27-23(28)25(2,3)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-16,21H,1-3H3,(H,26,27,28)
InChIKeyNNYCABRVKFPAML-UHFFFAOYSA-N
MW400.55 g/mol
LogP6.40
Rot. Bonds5

About 2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide

2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide (PubChem CID 59232817) has the molecular formula C25H24N2OS and a molecular weight of 400.55 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
PubChem CID59232817
Molecular FormulaC25H24N2OS
Molecular Weight400.55 g/mol
Exact Mass400.16
IUPAC Name2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
SMILESCc1cccc2sc(NC(=O)C(C)(C)C(c3ccccc3)c3ccccc3)nc12
InChIInChI=1S/C25H24N2OS/c1-17-11-10-16-20-22(17)26-24(29-20)27-23(28)25(2,3)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-16,21H,1-3H3,(H,26,27,28)
InChIKeyNNYCABRVKFPAML-UHFFFAOYSA-N
XLogP6.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.55
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 34555190
N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 59232931
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide
CID 59232733
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 59232697
2,2-dimethyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938454
2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
(E)-N-(4-methyl-1,3-benzothiazol-2-yl)but-2-enamide
CID 110459733
3-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoic acid
CID 82192935
(2S)-2-amino-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide;hydrochloride
CID 119266077
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl]acetamide
CID 79146680
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557
methyl 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952216

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide?
The IUPAC name of 2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide (CID 59232817) is 2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide is Cc1cccc2sc(NC(=O)C(C)(C)C(c3ccccc3)c3ccccc3)nc12.
What is the InChIKey of 2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide?
The InChIKey is NNYCABRVKFPAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2OS/c1-17-11-10-16-20-22(17)26-24(29-20)27-23(28)25(2,3)21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-16,21H,1-3H3,(H,26,27,28).
What are the key properties of 2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide?
2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide has a molecular weight of 400.55 g/mol, XLogP of 6.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide is sourced from PubChem (CID 59232817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).