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

C23H23FN2O2S — CID 11959946

IUPACN-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCCOc2ccc(F)cc2)C2CC2)c(-c2ccccc2)s1
InChIInChI=1S/C23H23FN2O2S/c1-16-25-21(22(29-16)17-6-3-2-4-7-17)23(27)26(19-10-11-19)14-5-15-28-20-12-8-18(24)9-13-20/h2-4,6-9,12-13,19H,5,10-11,14-15H2,1H3
InChIKeyQLMXAPFTQLXTDC-UHFFFAOYSA-N
MW410.51 g/mol
LogP5.33
Rot. Bonds8

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

N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 11959946) has the molecular formula C23H23FN2O2S and a molecular weight of 410.51 g/mol. Its IUPAC name is N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID11959946
Molecular FormulaC23H23FN2O2S
Molecular Weight410.51 g/mol
Exact Mass410.15
IUPAC NameN-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCCOc2ccc(F)cc2)C2CC2)c(-c2ccccc2)s1
InChIInChI=1S/C23H23FN2O2S/c1-16-25-21(22(29-16)17-6-3-2-4-7-17)23(27)26(19-10-11-19)14-5-15-28-20-12-8-18(24)9-13-20/h2-4,6-9,12-13,19H,5,10-11,14-15H2,1H3
InChIKeyQLMXAPFTQLXTDC-UHFFFAOYSA-N
XLogP5.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 11959946) is N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(CCCOc2ccc(F)cc2)C2CC2)c(-c2ccccc2)s1.
What is the InChIKey of N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is QLMXAPFTQLXTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2S/c1-16-25-21(22(29-16)17-6-3-2-4-7-17)23(27)26(19-10-11-19)14-5-15-28-20-12-8-18(24)9-13-20/h2-4,6-9,12-13,19H,5,10-11,14-15H2,1H3.
What are the key properties of N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 5.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11959946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).