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

C18H12N2O2S — CID 711452

IUPACN-[2-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1
InChIInChI=1S/C18H12N2O2S/c21-17(15-9-5-11-22-15)19-13-7-2-1-6-12(13)18-20-14-8-3-4-10-16(14)23-18/h1-11H,(H,19,21)
InChIKeyKOMGTTCJFZKXIR-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.81
Rot. Bonds3

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

N-[2-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide (PubChem CID 711452) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
PubChem CID711452
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1
InChIInChI=1S/C18H12N2O2S/c21-17(15-9-5-11-22-15)19-13-7-2-1-6-12(13)18-20-14-8-3-4-10-16(14)23-18/h1-11H,(H,19,21)
InChIKeyKOMGTTCJFZKXIR-UHFFFAOYSA-N
XLogP4.81
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-Benzothiazol-2-yl)furan-2-carbaldehyde
CID 727559
N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 958627
N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide
CID 565816
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide
CID 1086066
2-(1,3-Benzothiazol-2-yl)-2-[1-(furan-2-ylmethyl)-2,6-dimethylpyridin-4-ylidene]acetonitrile
CID 2308215
Furan-2-carboxylic acid 4-benzothiazol-2-yl-benzylamide
CID 2979650
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 702340
5-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2101616
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]furan-2-carboxamide
CID 2811044
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 7119107
N-{2-[2-(3-Fluorophenyl)-1,3-thiazol-4-YL]ethyl}furan-2-carboxamide
CID 7518526

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide (CID 711452) is N-[2-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide?
The InChIKey is KOMGTTCJFZKXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c21-17(15-9-5-11-22-15)19-13-7-2-1-6-12(13)18-20-14-8-3-4-10-16(14)23-18/h1-11H,(H,19,21).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide?
N-[2-(1,3-benzothiazol-2-yl)phenyl]furan-2-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 4.81, 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)phenyl]furan-2-carboxamide is sourced from PubChem (CID 711452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).