N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide

C20H14FN3O3S — CID 55531872

IUPACN-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)ccc1F
InChIInChI=1S/C20H14FN3O3S/c1-11(25)22-15-10-12(6-7-13(15)21)23-19(26)16-8-9-17(27-16)20-24-14-4-2-3-5-18(14)28-20/h2-10H,1H3,(H,22,25)(H,23,26)
InChIKeyDQSRMHWNINGHBP-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.91
Rot. Bonds4

About N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 55531872) has the molecular formula C20H14FN3O3S and a molecular weight of 395.42 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID55531872
Molecular FormulaC20H14FN3O3S
Molecular Weight395.42 g/mol
Exact Mass395.07
IUPAC NameN-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)ccc1F
InChIInChI=1S/C20H14FN3O3S/c1-11(25)22-15-10-12(6-7-13(15)21)23-19(26)16-8-9-17(27-16)20-24-14-4-2-3-5-18(14)28-20/h2-10H,1H3,(H,22,25)(H,23,26)
InChIKeyDQSRMHWNINGHBP-UHFFFAOYSA-N
XLogP4.91
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,3-benzothiazol-2-yl)-N-(4-chloro-2-fluorophenyl)furan-2-carboxamide
CID 9077612
N-(5-benzamido-2-methylphenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 60517836
5-(1,3-benzothiazol-2-yl)-N-(3-chloro-2-fluorophenyl)furan-2-carboxamide
CID 9090076
5-(1,3-benzothiazol-2-yl)-N-[2-fluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]furan-2-carboxamide
CID 55550001
5-(1,3-benzothiazol-2-yl)-N',N'-dimethylfuran-2-carbohydrazide
CID 9092602
5-(1,3-benzothiazol-2-yl)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46441275
5-(1,3-benzothiazol-2-yl)-N-[2-[(dimethylamino)methyl]phenyl]furan-2-carboxamide
CID 46431780
5-(1,3-benzothiazol-2-yl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 46461021
5-(1,3-benzothiazol-2-yl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 93255813
N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 4279841
5-(1,3-benzothiazol-2-yl)-N,N-dimethylfuran-2-carboxamide
CID 47110700
5-(1,3-benzothiazol-2-yl)-N-cyclopropylfuran-2-carboxamide
CID 9079985

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 55531872) is N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide is CC(=O)Nc1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is DQSRMHWNINGHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3S/c1-11(25)22-15-10-12(6-7-13(15)21)23-19(26)16-8-9-17(27-16)20-24-14-4-2-3-5-18(14)28-20/h2-10H,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 55531872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).