N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide

C12H7ClN2OS2 — CID 113252495

IUPACN-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)c1cc2sccc2s1
InChIInChI=1S/C12H7ClN2OS2/c13-10-2-1-3-11(14-10)15-12(16)9-6-8-7(18-9)4-5-17-8/h1-6H,(H,14,15,16)
InChIKeyDVTHLSPKARTOIL-UHFFFAOYSA-N
MW294.79 g/mol
LogP4.26
Rot. Bonds2

About N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide

N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide (PubChem CID 113252495) has the molecular formula C12H7ClN2OS2 and a molecular weight of 294.79 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide
PubChem CID113252495
Molecular FormulaC12H7ClN2OS2
Molecular Weight294.79 g/mol
Exact Mass293.97
IUPAC NameN-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide
SMILESO=C(Nc1cccc(Cl)n1)c1cc2sccc2s1
InChIInChI=1S/C12H7ClN2OS2/c13-10-2-1-3-11(14-10)15-12(16)9-6-8-7(18-9)4-5-17-8/h1-6H,(H,14,15,16)
InChIKeyDVTHLSPKARTOIL-UHFFFAOYSA-N
XLogP4.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-2-pyridinyl)-5-methylthiophene-2-carboxamide
CID 115669462
N-(6-chloro-2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 103739832
N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide
CID 115683223
N-(3-bromophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 112733182
N-(3-chloro-4-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 78955049
thieno[3,2-b]thiophene-5-carbohydrazide
CID 2739789
N-[3-(hydroxymethyl)phenyl]thieno[3,2-b]thiophene-5-carboxamide
CID 78986764
N-(3,5-dichloro-2-hydroxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 107675579
N-(3-cyanophenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 112733183
3-fluoro-2-(thieno[3,2-b]thiophene-5-carbonylamino)benzoic acid
CID 81498674
2,5-dichloro-N-(6-chloro-2-pyridinyl)benzamide
CID 115683172
N-(3-amino-4-methoxyphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80744719

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide (CID 113252495) is N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide is O=C(Nc1cccc(Cl)n1)c1cc2sccc2s1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide?
The InChIKey is DVTHLSPKARTOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2OS2/c13-10-2-1-3-11(14-10)15-12(16)9-6-8-7(18-9)4-5-17-8/h1-6H,(H,14,15,16).
What are the key properties of N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide?
N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide has a molecular weight of 294.79 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)thieno[3,2-b]thiophene-5-carboxamide is sourced from PubChem (CID 113252495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).