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

C17H15FN2O2S — CID 16648735

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c(C)o1
InChIInChI=1S/C17H15FN2O2S/c1-10-7-15(11(2)22-10)16(21)20-17-19-9-14(23-17)8-12-3-5-13(18)6-4-12/h3-7,9H,8H2,1-2H3,(H,19,20,21)
InChIKeyNIJWPGRRLKRNBG-UHFFFAOYSA-N
MW330.38 g/mol
LogP4.34
Rot. Bonds4

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

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 16648735) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID16648735
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c(C)o1
InChIInChI=1S/C17H15FN2O2S/c1-10-7-15(11(2)22-10)16(21)20-17-19-9-14(23-17)8-12-3-5-13(18)6-4-12/h3-7,9H,8H2,1-2H3,(H,19,20,21)
InChIKeyNIJWPGRRLKRNBG-UHFFFAOYSA-N
XLogP4.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide (CID 16648735) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c(C)o1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is NIJWPGRRLKRNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-10-7-15(11(2)22-10)16(21)20-17-19-9-14(23-17)8-12-3-5-13(18)6-4-12/h3-7,9H,8H2,1-2H3,(H,19,20,21).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 16648735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).