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

C12H6F2N2O2S — CID 2385407

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2c(F)cc(F)cc2s1)c1ccco1
InChIInChI=1S/C12H6F2N2O2S/c13-6-4-7(14)10-9(5-6)19-12(15-10)16-11(17)8-2-1-3-18-8/h1-5H,(H,15,16,17)
InChIKeyCURAOQJHNJLYGZ-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.42
Rot. Bonds2

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

N-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 2385407) has the molecular formula C12H6F2N2O2S and a molecular weight of 280.25 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID2385407
Molecular FormulaC12H6F2N2O2S
Molecular Weight280.25 g/mol
Exact Mass280.01
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2c(F)cc(F)cc2s1)c1ccco1
InChIInChI=1S/C12H6F2N2O2S/c13-6-4-7(14)10-9(5-6)19-12(15-10)16-11(17)8-2-1-3-18-8/h1-5H,(H,15,16,17)
InChIKeyCURAOQJHNJLYGZ-UHFFFAOYSA-N
XLogP3.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 2385407) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide is O=C(Nc1nc2c(F)cc(F)cc2s1)c1ccco1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is CURAOQJHNJLYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2O2S/c13-6-4-7(14)10-9(5-6)19-12(15-10)16-11(17)8-2-1-3-18-8/h1-5H,(H,15,16,17).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2385407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).