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

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).