N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide

C14H10Br2N2OS2 — CID 16559957

IUPACN-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)c(Br)s1)c1nc2ccccc2s1
InChIInChI=1S/C14H10Br2N2OS2/c1-2-18(13(19)11-7-8(15)12(16)20-11)14-17-9-5-3-4-6-10(9)21-14/h3-7H,2H2,1H3
InChIKeyXNFYOQKABIGTMY-UHFFFAOYSA-N
MW446.19 g/mol
LogP5.55
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide

N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide (PubChem CID 16559957) has the molecular formula C14H10Br2N2OS2 and a molecular weight of 446.19 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
PubChem CID16559957
Molecular FormulaC14H10Br2N2OS2
Molecular Weight446.19 g/mol
Exact Mass443.86
IUPAC NameN-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(Br)c(Br)s1)c1nc2ccccc2s1
InChIInChI=1S/C14H10Br2N2OS2/c1-2-18(13(19)11-7-8(15)12(16)20-11)14-17-9-5-3-4-6-10(9)21-14/h3-7H,2H2,1H3
InChIKeyXNFYOQKABIGTMY-UHFFFAOYSA-N
XLogP5.55
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.19
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-N-ethylthiophene-2-carboxamide
CID 43022086
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,6-difluorobenzamide
CID 30797487
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide
CID 34189654
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-methyl-1,2-oxazole-5-carboxamide
CID 34191800
N-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrachloro-N-ethylpyridine-2-carboxamide
CID 16559914
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18193246
N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 34189759
N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 16559857
N-(1,3-benzothiazol-2-yl)-2-chloro-5-(dimethylsulfamoyl)-N-ethylbenzamide
CID 18193284
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide
CID 30797489
N-(1,3-benzothiazol-2-yl)-2-(4-bromoanilino)-N-ethylacetamide
CID 26552247
4,5-dibromo-N-ethyl-N-(3-methylphenyl)thiophene-2-carboxamide
CID 113221701

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide (CID 16559957) is N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide is CCN(C(=O)c1cc(Br)c(Br)s1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide?
The InChIKey is XNFYOQKABIGTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2OS2/c1-2-18(13(19)11-7-8(15)12(16)20-11)14-17-9-5-3-4-6-10(9)21-14/h3-7H,2H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide has a molecular weight of 446.19 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 16559957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).