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

C12H5BrCl2N2O2S2 — CID 27831965

IUPAC5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc(Br)o1
InChIInChI=1S/C12H5BrCl2N2O2S2/c13-8-2-1-7(19-8)11(18)17-12-16-6(4-20-12)5-3-9(14)21-10(5)15/h1-4H,(H,16,17,18)
InChIKeyHOXUXLJWCXQFLZ-UHFFFAOYSA-N
MW424.13 g/mol
LogP5.79
Rot. Bonds3

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

5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 27831965) has the molecular formula C12H5BrCl2N2O2S2 and a molecular weight of 424.13 g/mol. Its IUPAC name is 5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID27831965
Molecular FormulaC12H5BrCl2N2O2S2
Molecular Weight424.13 g/mol
Exact Mass421.84
IUPAC Name5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc(Br)o1
InChIInChI=1S/C12H5BrCl2N2O2S2/c13-8-2-1-7(19-8)11(18)17-12-16-6(4-20-12)5-3-9(14)21-10(5)15/h1-4H,(H,16,17,18)
InChIKeyHOXUXLJWCXQFLZ-UHFFFAOYSA-N
XLogP5.79
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.13
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 8718070
2-chloro-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4146879
5-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407187
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 18282187
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-bromofuran-2-carboxamide
CID 28861401
5-bromo-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 1407284
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 4055299
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 17456352
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848711
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 18587027
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2380414
N-[4-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 167768820

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 27831965) is 5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is HOXUXLJWCXQFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrCl2N2O2S2/c13-8-2-1-7(19-8)11(18)17-12-16-6(4-20-12)5-3-9(14)21-10(5)15/h1-4H,(H,16,17,18).
What are the key properties of 5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide?
5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 424.13 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 27831965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).