N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

C20H19FN2O2S — CID 11960848

IUPACN-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCOc2ccc(F)cc2)c(-c2ccccc2)s1
InChIInChI=1S/C20H19FN2O2S/c1-14-23-18(19(26-14)15-6-3-2-4-7-15)20(24)22-12-5-13-25-17-10-8-16(21)9-11-17/h2-4,6-11H,5,12-13H2,1H3,(H,22,24)
InChIKeyVVWBLWFBZGWSCG-UHFFFAOYSA-N
MW370.45 g/mol
LogP4.46
Rot. Bonds7

About N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 11960848) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID11960848
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC NameN-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCOc2ccc(F)cc2)c(-c2ccccc2)s1
InChIInChI=1S/C20H19FN2O2S/c1-14-23-18(19(26-14)15-6-3-2-4-7-15)20(24)22-12-5-13-25-17-10-8-16(21)9-11-17/h2-4,6-11H,5,12-13H2,1H3,(H,22,24)
InChIKeyVVWBLWFBZGWSCG-UHFFFAOYSA-N
XLogP4.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 11960848) is N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCCOc2ccc(F)cc2)c(-c2ccccc2)s1.
What is the InChIKey of N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is VVWBLWFBZGWSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-14-23-18(19(26-14)15-6-3-2-4-7-15)20(24)22-12-5-13-25-17-10-8-16(21)9-11-17/h2-4,6-11H,5,12-13H2,1H3,(H,22,24).
What are the key properties of N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11960848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).