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

C25H27FN2O2S — CID 11959745

IUPACN-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N-ethyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1nc(C)sc1-c1ccccc1)C(CCOc1ccc(F)cc1)C1CC1
InChIInChI=1S/C25H27FN2O2S/c1-3-28(22(18-9-10-18)15-16-30-21-13-11-20(26)12-14-21)25(29)23-24(31-17(2)27-23)19-7-5-4-6-8-19/h4-8,11-14,18,22H,3,9-10,15-16H2,1-2H3
InChIKeyGCLDFOBOGLLMNX-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.97
Rot. Bonds9

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

N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N-ethyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 11959745) has the molecular formula C25H27FN2O2S and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N-ethyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N-ethyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID11959745
Molecular FormulaC25H27FN2O2S
Molecular Weight438.57 g/mol
Exact Mass438.18
IUPAC NameN-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N-ethyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1nc(C)sc1-c1ccccc1)C(CCOc1ccc(F)cc1)C1CC1
InChIInChI=1S/C25H27FN2O2S/c1-3-28(22(18-9-10-18)15-16-30-21-13-11-20(26)12-14-21)25(29)23-24(31-17(2)27-23)19-7-5-4-6-8-19/h4-8,11-14,18,22H,3,9-10,15-16H2,1-2H3
InChIKeyGCLDFOBOGLLMNX-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

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N-ethyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N-ethyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 11959745) is N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N-ethyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N-ethyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N-ethyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is CCN(C(=O)c1nc(C)sc1-c1ccccc1)C(CCOc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N-ethyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is GCLDFOBOGLLMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2S/c1-3-28(22(18-9-10-18)15-16-30-21-13-11-20(26)12-14-21)25(29)23-24(31-17(2)27-23)19-7-5-4-6-8-19/h4-8,11-14,18,22H,3,9-10,15-16H2,1-2H3.
What are the key properties of N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N-ethyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N-ethyl-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-[1-cyclopropyl-3-(4-fluorophenoxy)propyl]-N-ethyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11959745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).