N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide

C12H5F3N2O2S — CID 2445991

IUPACN-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1ccco1
InChIInChI=1S/C12H5F3N2O2S/c13-5-4-7-10(9(15)8(5)14)16-12(20-7)17-11(18)6-2-1-3-19-6/h1-4H,(H,16,17,18)
InChIKeyZKQCCNKYYIXCEG-UHFFFAOYSA-N
MW298.25 g/mol
LogP3.56
Rot. Bonds2

About N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 2445991) has the molecular formula C12H5F3N2O2S and a molecular weight of 298.25 g/mol. Its IUPAC name is N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID2445991
Molecular FormulaC12H5F3N2O2S
Molecular Weight298.25 g/mol
Exact Mass298.00
IUPAC NameN-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1ccco1
InChIInChI=1S/C12H5F3N2O2S/c13-5-4-7-10(9(15)8(5)14)16-12(20-7)17-11(18)6-2-1-3-19-6/h1-4H,(H,16,17,18)
InChIKeyZKQCCNKYYIXCEG-UHFFFAOYSA-N
XLogP3.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844341
N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 944851
N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 952238
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)-5-nitrofuran-2-carboxamide
CID 618279
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide
CID 4646592
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 702340
5-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 795005

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 2445991) is N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide is O=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1ccco1.
What is the InChIKey of N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is ZKQCCNKYYIXCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F3N2O2S/c13-5-4-7-10(9(15)8(5)14)16-12(20-7)17-11(18)6-2-1-3-19-6/h1-4H,(H,16,17,18).
What are the key properties of N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 298.25 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2445991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).