N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide

C24H20Cl2N2OS — CID 59232733

IUPACN-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide
SMILESCC(C)(C(=O)Nc1nc2cc(Cl)c(Cl)cc2s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20Cl2N2OS/c1-24(2,21(15-9-5-3-6-10-15)16-11-7-4-8-12-16)22(29)28-23-27-19-13-17(25)18(26)14-20(19)30-23/h3-14,21H,1-2H3,(H,27,28,29)
InChIKeyLHBNTWYKOPJSRH-UHFFFAOYSA-N
MW455.41 g/mol
LogP7.40
Rot. Bonds5

About N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide

N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide (PubChem CID 59232733) has the molecular formula C24H20Cl2N2OS and a molecular weight of 455.41 g/mol. Its IUPAC name is N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide
PubChem CID59232733
Molecular FormulaC24H20Cl2N2OS
Molecular Weight455.41 g/mol
Exact Mass454.07
IUPAC NameN-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide
SMILESCC(C)(C(=O)Nc1nc2cc(Cl)c(Cl)cc2s1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20Cl2N2OS/c1-24(2,21(15-9-5-3-6-10-15)16-11-7-4-8-12-16)22(29)28-23-27-19-13-17(25)18(26)14-20(19)30-23/h3-14,21H,1-2H3,(H,27,28,29)
InChIKeyLHBNTWYKOPJSRH-UHFFFAOYSA-N
XLogP7.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.41
LogP ≤ 57.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 59232931
2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 59232817
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 91742187
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
CID 30307866
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide
CID 59232697
N-[2-(2,2-dimethylpropanoylamino)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2,2-dimethylpropanamide
CID 51370683
2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59232960
3-(1,3-benzothiazol-2-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82813676
N-(5,6-dihydroxy-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 164625974
N-(1,3-benzothiazol-2-yl)-2-hydroxy-2-methylpropanamide
CID 103429378
N-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)-2-methylpropanamide
CID 110439547
2-bromo-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17244819

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide?
The IUPAC name of N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide (CID 59232733) is N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide.
What is the SMILES notation for N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide?
The canonical SMILES for N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide is CC(C)(C(=O)Nc1nc2cc(Cl)c(Cl)cc2s1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide?
The InChIKey is LHBNTWYKOPJSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2OS/c1-24(2,21(15-9-5-3-6-10-15)16-11-7-4-8-12-16)22(29)28-23-27-19-13-17(25)18(26)14-20(19)30-23/h3-14,21H,1-2H3,(H,27,28,29).
What are the key properties of N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide?
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide has a molecular weight of 455.41 g/mol, XLogP of 7.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide is sourced from PubChem (CID 59232733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).