N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide

C16H15FN4OS — CID 46969187

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ncc(Cc2ccccc2F)s1)n1ccnc1
InChIInChI=1S/C16H15FN4OS/c1-11(21-7-6-18-10-21)15(22)20-16-19-9-13(23-16)8-12-4-2-3-5-14(12)17/h2-7,9-11H,8H2,1H3,(H,19,20,22)
InChIKeyUWVOLPDTOYWNEV-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.27
Rot. Bonds5

About N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide

N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide (PubChem CID 46969187) has the molecular formula C16H15FN4OS and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
PubChem CID46969187
Molecular FormulaC16H15FN4OS
Molecular Weight330.39 g/mol
Exact Mass330.10
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ncc(Cc2ccccc2F)s1)n1ccnc1
InChIInChI=1S/C16H15FN4OS/c1-11(21-7-6-18-10-21)15(22)20-16-19-9-13(23-16)8-12-4-2-3-5-14(12)17/h2-7,9-11H,8H2,1H3,(H,19,20,22)
InChIKeyUWVOLPDTOYWNEV-UHFFFAOYSA-N
XLogP3.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide (CID 46969187) is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide is CC(C(=O)Nc1ncc(Cc2ccccc2F)s1)n1ccnc1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
The InChIKey is UWVOLPDTOYWNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4OS/c1-11(21-7-6-18-10-21)15(22)20-16-19-9-13(23-16)8-12-4-2-3-5-14(12)17/h2-7,9-11H,8H2,1H3,(H,19,20,22).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide?
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide has a molecular weight of 330.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 46969187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).