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

C24H25FN2O2S — CID 11959840

IUPACN-[[1-[(4-fluorophenoxy)methyl]cyclobutyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)CC2(COc3ccc(F)cc3)CCC2)c(-c2ccccc2)s1
InChIInChI=1S/C24H25FN2O2S/c1-17-26-21(22(30-17)18-7-4-3-5-8-18)23(28)27(2)15-24(13-6-14-24)16-29-20-11-9-19(25)10-12-20/h3-5,7-12H,6,13-16H2,1-2H3
InChIKeyAFFFSXMMOVXNJA-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.58
Rot. Bonds7

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

N-[[1-[(4-fluorophenoxy)methyl]cyclobutyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 11959840) has the molecular formula C24H25FN2O2S and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenoxy)methyl]cyclobutyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenoxy)methyl]cyclobutyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID11959840
Molecular FormulaC24H25FN2O2S
Molecular Weight424.54 g/mol
Exact Mass424.16
IUPAC NameN-[[1-[(4-fluorophenoxy)methyl]cyclobutyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)CC2(COc3ccc(F)cc3)CCC2)c(-c2ccccc2)s1
InChIInChI=1S/C24H25FN2O2S/c1-17-26-21(22(30-17)18-7-4-3-5-8-18)23(28)27(2)15-24(13-6-14-24)16-29-20-11-9-19(25)10-12-20/h3-5,7-12H,6,13-16H2,1-2H3
InChIKeyAFFFSXMMOVXNJA-UHFFFAOYSA-N
XLogP5.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
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-[[1-[(4-fluorophenoxy)methyl]cyclobutyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-[(4-fluorophenoxy)methyl]cyclobutyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 11959840) is N-[[1-[(4-fluorophenoxy)methyl]cyclobutyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-[(4-fluorophenoxy)methyl]cyclobutyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-[(4-fluorophenoxy)methyl]cyclobutyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(C)CC2(COc3ccc(F)cc3)CCC2)c(-c2ccccc2)s1.
What is the InChIKey of N-[[1-[(4-fluorophenoxy)methyl]cyclobutyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is AFFFSXMMOVXNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2S/c1-17-26-21(22(30-17)18-7-4-3-5-8-18)23(28)27(2)15-24(13-6-14-24)16-29-20-11-9-19(25)10-12-20/h3-5,7-12H,6,13-16H2,1-2H3.
What are the key properties of N-[[1-[(4-fluorophenoxy)methyl]cyclobutyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-[[1-[(4-fluorophenoxy)methyl]cyclobutyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenoxy)methyl]cyclobutyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11959840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).