N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide

C12H6Cl2N2OS2 — CID 16804006

IUPACN-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H6Cl2N2OS2/c13-10-4-7(11(14)19-10)12(17)16-6-1-2-9-8(3-6)15-5-18-9/h1-5H,(H,16,17)
InChIKeyXPOBYXCECWUMIW-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.92
Rot. Bonds2

About N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide

N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide (PubChem CID 16804006) has the molecular formula C12H6Cl2N2OS2 and a molecular weight of 329.23 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
PubChem CID16804006
Molecular FormulaC12H6Cl2N2OS2
Molecular Weight329.23 g/mol
Exact Mass327.93
IUPAC NameN-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide
SMILESO=C(Nc1ccc2scnc2c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H6Cl2N2OS2/c13-10-4-7(11(14)19-10)12(17)16-6-1-2-9-8(3-6)15-5-18-9/h1-5H,(H,16,17)
InChIKeyXPOBYXCECWUMIW-UHFFFAOYSA-N
XLogP4.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzamide
CID 16811077
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide
CID 18585512
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
N-(1,3-benzothiazol-5-yl)-4-chloro-1-methylpyrazole-5-carboxamide
CID 131925440
N-(1,3-benzothiazol-5-yl)-3-methylthiophene-2-carboxamide
CID 112525687
N-(3-amino-4-methylphenyl)-2,5-dichlorothiophene-3-carboxamide
CID 113228330
N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide
CID 103893877
N-(1,3-benzothiazol-5-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 131889264
N-(5-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103604536
N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide
CID 18585554
N-(1,3-benzothiazol-5-yl)-4-butoxybenzamide
CID 18585507

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide (CID 16804006) is N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide is O=C(Nc1ccc2scnc2c1)c1cc(Cl)sc1Cl.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide?
The InChIKey is XPOBYXCECWUMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2OS2/c13-10-4-7(11(14)19-10)12(17)16-6-1-2-9-8(3-6)15-5-18-9/h1-5H,(H,16,17).
What are the key properties of N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide?
N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide has a molecular weight of 329.23 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-2,5-dichlorothiophene-3-carboxamide is sourced from PubChem (CID 16804006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).