N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide

C18H10BrClN2O2S — CID 46364001

IUPACN-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1Cl)c1ccc(Br)o1
InChIInChI=1S/C18H10BrClN2O2S/c19-16-8-7-14(24-16)17(23)21-12-6-5-10(9-11(12)20)18-22-13-3-1-2-4-15(13)25-18/h1-9H,(H,21,23)
InChIKeyAGYARDRIDDCTIT-UHFFFAOYSA-N
MW433.71 g/mol
LogP6.22
Rot. Bonds3

About N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide

N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide (PubChem CID 46364001) has the molecular formula C18H10BrClN2O2S and a molecular weight of 433.71 g/mol. Its IUPAC name is N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide
PubChem CID46364001
Molecular FormulaC18H10BrClN2O2S
Molecular Weight433.71 g/mol
Exact Mass431.93
IUPAC NameN-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3s2)cc1Cl)c1ccc(Br)o1
InChIInChI=1S/C18H10BrClN2O2S/c19-16-8-7-14(24-16)17(23)21-12-6-5-10(9-11(12)20)18-22-13-3-1-2-4-15(13)25-18/h1-9H,(H,21,23)
InChIKeyAGYARDRIDDCTIT-UHFFFAOYSA-N
XLogP6.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.71
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,5-dimethoxybenzamide
CID 46364004
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17116671
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-2-bromobenzamide
CID 2283555
5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide
CID 9077612
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 2911609
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chlorobenzamide
CID 46785977
1-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dichlorophenyl)urea
CID 2738352
2-(4-bromo-3-chlorophenyl)-1,3-benzothiazole
CID 94675121
5-(1,3-benzothiazol-2-yl)-N-(3-chloro-2-fluorophenyl)furan-2-carboxamide
CID 9090076
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-chloro-4-methylbenzamide
CID 17132014
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide
CID 17116673
N-[[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 17114771

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide?
The IUPAC name of N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide (CID 46364001) is N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide?
The canonical SMILES for N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3s2)cc1Cl)c1ccc(Br)o1.
What is the InChIKey of N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide?
The InChIKey is AGYARDRIDDCTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrClN2O2S/c19-16-8-7-14(24-16)17(23)21-12-6-5-10(9-11(12)20)18-22-13-3-1-2-4-15(13)25-18/h1-9H,(H,21,23).
What are the key properties of N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide?
N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide has a molecular weight of 433.71 g/mol, XLogP of 6.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-bromofuran-2-carboxamide is sourced from PubChem (CID 46364001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).