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

C25H27FN2O2S — CID 11960930

IUPACN-(cyclobutylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCCOc2ccc(F)cc2)CC2CCC2)c(-c2ccccc2)s1
InChIInChI=1S/C25H27FN2O2S/c1-18-27-23(24(31-18)20-9-3-2-4-10-20)25(29)28(17-19-7-5-8-19)15-6-16-30-22-13-11-21(26)12-14-22/h2-4,9-14,19H,5-8,15-17H2,1H3
InChIKeyLGAVFNXPNYRMRN-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.97
Rot. Bonds9

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

N-(cyclobutylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 11960930) has the molecular formula C25H27FN2O2S and a molecular weight of 438.57 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID11960930
Molecular FormulaC25H27FN2O2S
Molecular Weight438.57 g/mol
Exact Mass438.18
IUPAC NameN-(cyclobutylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCCOc2ccc(F)cc2)CC2CCC2)c(-c2ccccc2)s1
InChIInChI=1S/C25H27FN2O2S/c1-18-27-23(24(31-18)20-9-3-2-4-10-20)25(29)28(17-19-7-5-8-19)15-6-16-30-22-13-11-21(26)12-14-22/h2-4,9-14,19H,5-8,15-17H2,1H3
InChIKeyLGAVFNXPNYRMRN-UHFFFAOYSA-N
XLogP5.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.97
H-Bond Donors ≤ 50
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-(cyclobutylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 11960930) is N-(cyclobutylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(CCCOc2ccc(F)cc2)CC2CCC2)c(-c2ccccc2)s1.
What is the InChIKey of N-(cyclobutylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is LGAVFNXPNYRMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2S/c1-18-27-23(24(31-18)20-9-3-2-4-10-20)25(29)28(17-19-7-5-8-19)15-6-16-30-22-13-11-21(26)12-14-22/h2-4,9-14,19H,5-8,15-17H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-(cyclobutylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 5.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11960930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).