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

C24H25FN2O2S — CID 11848490

IUPACN-ethyl-N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCCN(CC1(COc2ccc(F)cc2)CC1)C(=O)c1nc(C)sc1-c1ccccc1
InChIInChI=1S/C24H25FN2O2S/c1-3-27(15-24(13-14-24)16-29-20-11-9-19(25)10-12-20)23(28)21-22(30-17(2)26-21)18-7-5-4-6-8-18/h4-12H,3,13-16H2,1-2H3
InChIKeyNORTWKAGUNRAOY-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.58
Rot. Bonds8

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

N-ethyl-N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 11848490) has the molecular formula C24H25FN2O2S and a molecular weight of 424.54 g/mol. Its IUPAC name is N-ethyl-N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID11848490
Molecular FormulaC24H25FN2O2S
Molecular Weight424.54 g/mol
Exact Mass424.16
IUPAC NameN-ethyl-N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCCN(CC1(COc2ccc(F)cc2)CC1)C(=O)c1nc(C)sc1-c1ccccc1
InChIInChI=1S/C24H25FN2O2S/c1-3-27(15-24(13-14-24)16-29-20-11-9-19(25)10-12-20)23(28)21-22(30-17(2)26-21)18-7-5-4-6-8-18/h4-12H,3,13-16H2,1-2H3
InChIKeyNORTWKAGUNRAOY-UHFFFAOYSA-N
XLogP5.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 11848490) is N-ethyl-N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is CCN(CC1(COc2ccc(F)cc2)CC1)C(=O)c1nc(C)sc1-c1ccccc1.
What is the InChIKey of N-ethyl-N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is NORTWKAGUNRAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2S/c1-3-27(15-24(13-14-24)16-29-20-11-9-19(25)10-12-20)23(28)21-22(30-17(2)26-21)18-7-5-4-6-8-18/h4-12H,3,13-16H2,1-2H3.
What are the key properties of N-ethyl-N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-ethyl-N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11848490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).