N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide

C24H22N2O3S — CID 59232931

IUPACN-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)Nc1nc2ccccc2s1)C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H22N2O3S/c1-24(2,22(29)26-23-25-19-5-3-4-6-20(19)30-23)21(15-7-11-17(27)12-8-15)16-9-13-18(28)14-10-16/h3-14,21,27-28H,1-2H3,(H,25,26,29)
InChIKeySIWPZYUFZAZWCI-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.50
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide

N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide (PubChem CID 59232931) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide
PubChem CID59232931
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C(=O)Nc1nc2ccccc2s1)C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C24H22N2O3S/c1-24(2,22(29)26-23-25-19-5-3-4-6-20(19)30-23)21(15-7-11-17(27)12-8-15)16-9-13-18(28)14-10-16/h3-14,21,27-28H,1-2H3,(H,25,26,29)
InChIKeySIWPZYUFZAZWCI-UHFFFAOYSA-N
XLogP5.50
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide
CID 59232733
N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 103429378
2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 59232817
3-(1,3-benzothiazol-2-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82813676
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 59232697
2-amino-N-(1,3-benzothiazol-2-yl)-2-methylpentanamide
CID 60846825
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-3,3-dimethylbutanamide
CID 710830
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(1,3-benzothiazol-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547309
N-(1,3-benzothiazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 3513689
2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59232960

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide (CID 59232931) is N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide is CC(C)(C(=O)Nc1nc2ccccc2s1)C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide?
The InChIKey is SIWPZYUFZAZWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-24(2,22(29)26-23-25-19-5-3-4-6-20(19)30-23)21(15-7-11-17(27)12-8-15)16-9-13-18(28)14-10-16/h3-14,21,27-28H,1-2H3,(H,25,26,29).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide?
N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide has a molecular weight of 418.52 g/mol, XLogP of 5.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 59232931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).