N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

C16H8Cl2N2O2S2 — CID 8718070

IUPACN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cc2ccccc2o1
InChIInChI=1S/C16H8Cl2N2O2S2/c17-13-6-9(14(18)24-13)10-7-23-16(19-10)20-15(21)12-5-8-3-1-2-4-11(8)22-12/h1-7H,(H,19,20,21)
InChIKeyGOCVBBKPEXFPRE-UHFFFAOYSA-N
MW395.29 g/mol
LogP6.18
Rot. Bonds3

About N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 8718070) has the molecular formula C16H8Cl2N2O2S2 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID8718070
Molecular FormulaC16H8Cl2N2O2S2
Molecular Weight395.29 g/mol
Exact Mass393.94
IUPAC NameN-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cc2ccccc2o1
InChIInChI=1S/C16H8Cl2N2O2S2/c17-13-6-9(14(18)24-13)10-7-23-16(19-10)20-15(21)12-5-8-3-1-2-4-11(8)22-12/h1-7H,(H,19,20,21)
InChIKeyGOCVBBKPEXFPRE-UHFFFAOYSA-N
XLogP6.18
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.29
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27831965
2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4146879
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718110
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2676581
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 2715669
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 46629048
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718079
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 8609952
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 18282187
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 4055299
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 9100665
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 17456352

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide (CID 8718070) is N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cc2ccccc2o1.
What is the InChIKey of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is GOCVBBKPEXFPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2N2O2S2/c17-13-6-9(14(18)24-13)10-7-23-16(19-10)20-15(21)12-5-8-3-1-2-4-11(8)22-12/h1-7H,(H,19,20,21).
What are the key properties of N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide?
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 395.29 g/mol, XLogP of 6.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8718070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).