N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide

C18H15F2N3O2S — CID 24981531

IUPACN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2ncsc2c1
InChIInChI=1S/C18H15F2N3O2S/c1-2-23(9-16(24)22-17-12(19)4-3-5-13(17)20)18(25)11-6-7-14-15(8-11)26-10-21-14/h3-8,10H,2,9H2,1H3,(H,22,24)
InChIKeyHHXZINPBOVAZHP-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.68
Rot. Bonds5

About N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide

N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide (PubChem CID 24981531) has the molecular formula C18H15F2N3O2S and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide
PubChem CID24981531
Molecular FormulaC18H15F2N3O2S
Molecular Weight375.40 g/mol
Exact Mass375.09
IUPAC NameN-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide
SMILESCCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2ncsc2c1
InChIInChI=1S/C18H15F2N3O2S/c1-2-23(9-16(24)22-17-12(19)4-3-5-13(17)20)18(25)11-6-7-14-15(8-11)26-10-21-14/h3-8,10H,2,9H2,1H3,(H,22,24)
InChIKeyHHXZINPBOVAZHP-UHFFFAOYSA-N
XLogP3.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
2-(5-carbamimidamido-2-{[(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}pentanoyl)-1,3-benzothiazole-6-carboxamide
CID 23646612
2-[1-(3-Fluorobenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430047
N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712463
N-(4-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712465
N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712469
2-Methyl-benzothiazole-6-carboxylic acid (4-acetyl-phenyl)-amide
CID 1085966
N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092996
N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide
CID 2093795
N-(2-propan-2-ylphenyl)-1,3-benzothiazole-6-carboxamide
CID 2096442
N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 2738140
N-(1,3-benzothiazol-2-ylmethyl)-4-fluoro-N-methylbenzamide
CID 8085236

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide (CID 24981531) is N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide is CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccc2ncsc2c1.
What is the InChIKey of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is HHXZINPBOVAZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2S/c1-2-23(9-16(24)22-17-12(19)4-3-5-13(17)20)18(25)11-6-7-14-15(8-11)26-10-21-14/h3-8,10H,2,9H2,1H3,(H,22,24).
What are the key properties of N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide?
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 24981531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).