N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide

C24H13Cl2IN2O2S — CID 5016796

IUPACN-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1-c1nc2ccccc2s1)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C24H13Cl2IN2O2S/c25-13-5-7-17(26)15(11-13)20-9-10-21(31-20)23(30)28-18-8-6-14(27)12-16(18)24-29-19-3-1-2-4-22(19)32-24/h1-12H,(H,28,30)
InChIKeyJJBSLVOBTFLMGH-UHFFFAOYSA-N
MW591.26 g/mol
LogP8.39
Rot. Bonds4

About N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide

N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide (PubChem CID 5016796) has the molecular formula C24H13Cl2IN2O2S and a molecular weight of 591.26 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
PubChem CID5016796
Molecular FormulaC24H13Cl2IN2O2S
Molecular Weight591.26 g/mol
Exact Mass589.91
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(I)cc1-c1nc2ccccc2s1)c1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C24H13Cl2IN2O2S/c25-13-5-7-17(26)15(11-13)20-9-10-21(31-20)23(30)28-18-8-6-14(27)12-16(18)24-29-19-3-1-2-4-22(19)32-24/h1-12H,(H,28,30)
InChIKeyJJBSLVOBTFLMGH-UHFFFAOYSA-N
XLogP8.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.26
LogP ≤ 58.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide
CID 9077612
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chlorobenzamide
CID 4283027
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-5-nitrofuran-2-carboxamide
CID 19630916
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-3-chloro-4-methoxybenzamide
CID 3994584
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-4-chloro-3-nitrobenzamide
CID 3668346
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-3,5-dimethoxybenzamide
CID 22778187
N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4279841
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 17116671
5-(1,3-benzothiazol-2-yl)-N-(3-chloro-2-fluorophenyl)furan-2-carboxamide
CID 9090076
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-2-methoxybenzamide
CID 3381705
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-5-(2-nitrophenyl)furan-2-carboxamide
CID 2911609
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-3,4-dimethoxybenzamide
CID 4569294

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide (CID 5016796) is N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide is O=C(Nc1ccc(I)cc1-c1nc2ccccc2s1)c1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
The InChIKey is JJBSLVOBTFLMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13Cl2IN2O2S/c25-13-5-7-17(26)15(11-13)20-9-10-21(31-20)23(30)28-18-8-6-14(27)12-16(18)24-29-19-3-1-2-4-22(19)32-24/h1-12H,(H,28,30).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide has a molecular weight of 591.26 g/mol, XLogP of 8.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)-4-iodophenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 5016796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).