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

C18H11ClN2O2S — CID 1086066

IUPACN-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccco1
InChIInChI=1S/C18H11ClN2O2S/c19-11-7-8-13(20-17(22)15-5-3-9-23-15)12(10-11)18-21-14-4-1-2-6-16(14)24-18/h1-10H,(H,20,22)
InChIKeyCFENZAQTXHOLFI-UHFFFAOYSA-N
MW354.82 g/mol
LogP5.46
Rot. Bonds3

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

N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide (PubChem CID 1086066) has the molecular formula C18H11ClN2O2S and a molecular weight of 354.82 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide
PubChem CID1086066
Molecular FormulaC18H11ClN2O2S
Molecular Weight354.82 g/mol
Exact Mass354.02
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccco1
InChIInChI=1S/C18H11ClN2O2S/c19-11-7-8-13(20-17(22)15-5-3-9-23-15)12(10-11)18-21-14-4-1-2-6-16(14)24-18/h1-10H,(H,20,22)
InChIKeyCFENZAQTXHOLFI-UHFFFAOYSA-N
XLogP5.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.82
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]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

Furan-2-carboxylic acid 4-benzothiazol-2-yl-benzylamide
CID 2979650
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 3617877
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 1076222
N-(2-methyl-1,3-benzothiazol-6-yl)-2-furancarboxamide
CID 1085170
N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide
CID 2215189
N-[2-(1,3-benzothiazol-2-yl)-4,6-dichlorophenyl]-5-bromo-2-furamide
CID 2232815
[2-[4-(6-Methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] furan-2-carboxylate
CID 2357119
N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 3143005
N-{2-[2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-YL]ethyl}furan-2-carboxamide
CID 7207754
N-[2-({[(2-Methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-YL]furan-2-carboxamide
CID 16015517
N-[2-({[(4-Methylphenyl)carbamoyl]methyl}sulfanyl)-1,3-benzothiazol-6-YL]furan-2-carboxamide
CID 16015553
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-1-benzofuran-2-carboxamide
CID 1721514

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide (CID 1086066) is N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccco1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide?
The InChIKey is CFENZAQTXHOLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2S/c19-11-7-8-13(20-17(22)15-5-3-9-23-15)12(10-11)18-21-14-4-1-2-6-16(14)24-18/h1-10H,(H,20,22).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide has a molecular weight of 354.82 g/mol, XLogP of 5.46, 3 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-chlorophenyl]furan-2-carboxamide is sourced from PubChem (CID 1086066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).