N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C19H19FN2O2S — CID 86950478

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2sc(Cc3ccc(F)cc3)nc2C)c(C)o1
InChIInChI=1S/C19H19FN2O2S/c1-11-8-15(13(3)24-11)10-21-19(23)18-12(2)22-17(25-18)9-14-4-6-16(20)7-5-14/h4-8H,9-10H2,1-3H3,(H,21,23)
InChIKeyQVIPJYIDCJLVPM-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.32
Rot. Bonds5

About N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 86950478) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID86950478
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(CNC(=O)c2sc(Cc3ccc(F)cc3)nc2C)c(C)o1
InChIInChI=1S/C19H19FN2O2S/c1-11-8-15(13(3)24-11)10-21-19(23)18-12(2)22-17(25-18)9-14-4-6-16(20)7-5-14/h4-8H,9-10H2,1-3H3,(H,21,23)
InChIKeyQVIPJYIDCJLVPM-UHFFFAOYSA-N
XLogP4.32
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 86950478) is N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1cc(CNC(=O)c2sc(Cc3ccc(F)cc3)nc2C)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QVIPJYIDCJLVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-11-8-15(13(3)24-11)10-21-19(23)18-12(2)22-17(25-18)9-14-4-6-16(20)7-5-14/h4-8H,9-10H2,1-3H3,(H,21,23).
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86950478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).