N-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide

C20H15FN2O2S — CID 58388097

IUPACN-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1ccc(Cc2cccc(F)c2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C20H15FN2O2S/c21-15-3-1-2-13(8-15)9-16-5-6-17(25-16)11-22-20(24)14-4-7-18-19(10-14)26-12-23-18/h1-8,10,12H,9,11H2,(H,22,24)
InChIKeyXBZYWTYAJKSEQT-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.55
Rot. Bonds5

About N-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide

N-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 58388097) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID58388097
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC NameN-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1ccc(Cc2cccc(F)c2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C20H15FN2O2S/c21-15-3-1-2-13(8-15)9-16-5-6-17(25-16)11-22-20(24)14-4-7-18-19(10-14)26-12-23-18/h1-8,10,12H,9,11H2,(H,22,24)
InChIKeyXBZYWTYAJKSEQT-UHFFFAOYSA-N
XLogP4.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide (CID 58388097) is N-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide is O=C(NCc1ccc(Cc2cccc(F)c2)o1)c1ccc2ncsc2c1.
What is the InChIKey of N-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is XBZYWTYAJKSEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c21-15-3-1-2-13(8-15)9-16-5-6-17(25-16)11-22-20(24)14-4-7-18-19(10-14)26-12-23-18/h1-8,10,12H,9,11H2,(H,22,24).
What are the key properties of N-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide?
N-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3-fluorophenyl)methyl]furan-2-yl]methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 58388097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).