2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C19H23F3N2O3S — CID 55684800

IUPAC2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)s1
InChIInChI=1S/C19H23F3N2O3S/c1-4-5-6-16-23-12(2)17(28-16)18(25)24-14-11-13(19(20,21)22)7-8-15(14)27-10-9-26-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,24,25)
InChIKeyLXGHBNTYNSTTLV-UHFFFAOYSA-N
MW416.47 g/mol
LogP5.09
Rot. Bonds9

About 2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 55684800) has the molecular formula C19H23F3N2O3S and a molecular weight of 416.47 g/mol. Its IUPAC name is 2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID55684800
Molecular FormulaC19H23F3N2O3S
Molecular Weight416.47 g/mol
Exact Mass416.14
IUPAC Name2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)s1
InChIInChI=1S/C19H23F3N2O3S/c1-4-5-6-16-23-12(2)17(28-16)18(25)24-14-11-13(19(20,21)22)7-8-15(14)27-10-9-26-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,24,25)
InChIKeyLXGHBNTYNSTTLV-UHFFFAOYSA-N
XLogP5.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 55684800) is 2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is CCCCc1nc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOC)s1.
What is the InChIKey of 2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LXGHBNTYNSTTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N2O3S/c1-4-5-6-16-23-12(2)17(28-16)18(25)24-14-11-13(19(20,21)22)7-8-15(14)27-10-9-26-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,24,25).
What are the key properties of 2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 416.47 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55684800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).