N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide

C17H14Cl2N2O2S — CID 30307879

IUPACN-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
SMILESCC(C)(Oc1ccccc1)C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1
InChIInChI=1S/C17H14Cl2N2O2S/c1-17(2,23-10-6-4-3-5-7-10)15(22)21-16-20-14-12(24-16)9-8-11(18)13(14)19/h3-9H,1-2H3,(H,20,21,22)
InChIKeyZLMFJHVOTWKPGG-UHFFFAOYSA-N
MW381.28 g/mol
LogP5.40
Rot. Bonds4

About N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide

N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide (PubChem CID 30307879) has the molecular formula C17H14Cl2N2O2S and a molecular weight of 381.28 g/mol. Its IUPAC name is N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
PubChem CID30307879
Molecular FormulaC17H14Cl2N2O2S
Molecular Weight381.28 g/mol
Exact Mass380.02
IUPAC NameN-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
SMILESCC(C)(Oc1ccccc1)C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1
InChIInChI=1S/C17H14Cl2N2O2S/c1-17(2,23-10-6-4-3-5-7-10)15(22)21-16-20-14-12(24-16)9-8-11(18)13(14)19/h3-9H,1-2H3,(H,20,21,22)
InChIKeyZLMFJHVOTWKPGG-UHFFFAOYSA-N
XLogP5.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.28
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 5161471
2-(4-tert-butylphenoxy)-N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 17335910
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
CID 30307866
N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-2,2-dimethylpropanamide
CID 3588320
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
CID 7192820
N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-2-phenoxyacetamide
CID 3417887
4-tert-butyl-N-(4,5-dichloro-1,3-benzothiazol-2-yl)benzamide
CID 40603954
methyl 4-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 2150731
N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-2,2-diphenylacetamide
CID 17104536
4-tert-butyl-N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 4306717
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-naphthalen-2-ylacetamide
CID 16849433
N-[(4,5-dichloro-1,3-benzothiazol-2-yl)carbamothioyl]-3-phenylprop-2-enamide
CID 4038292

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide?
The IUPAC name of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide (CID 30307879) is N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide.
What is the SMILES notation for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide?
The canonical SMILES for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide is CC(C)(Oc1ccccc1)C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1.
What is the InChIKey of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide?
The InChIKey is ZLMFJHVOTWKPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2S/c1-17(2,23-10-6-4-3-5-7-10)15(22)21-16-20-14-12(24-16)9-8-11(18)13(14)19/h3-9H,1-2H3,(H,20,21,22).
What are the key properties of N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide?
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide has a molecular weight of 381.28 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide is sourced from PubChem (CID 30307879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).