N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide

C16H19ClN2O2S — CID 47070958

IUPACN-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide
SMILESCOCCCC(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C16H19ClN2O2S/c1-11-16(12-5-7-13(17)8-6-12)19-15(22-11)10-18-14(20)4-3-9-21-2/h5-8H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyAEJHGNLWXJEKCJ-UHFFFAOYSA-N
MW338.86 g/mol
LogP3.81
Rot. Bonds7

About N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide

N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide (PubChem CID 47070958) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide
PubChem CID47070958
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC NameN-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide
SMILESCOCCCC(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C16H19ClN2O2S/c1-11-16(12-5-7-13(17)8-6-12)19-15(22-11)10-18-14(20)4-3-9-21-2/h5-8H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyAEJHGNLWXJEKCJ-UHFFFAOYSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide?
The IUPAC name of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide (CID 47070958) is N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide is COCCCC(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1.
What is the InChIKey of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide?
The InChIKey is AEJHGNLWXJEKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-11-16(12-5-7-13(17)8-6-12)19-15(22-11)10-18-14(20)4-3-9-21-2/h5-8H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide?
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide has a molecular weight of 338.86 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-4-methoxybutanamide is sourced from PubChem (CID 47070958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).