N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide

C17H22N2O2S — CID 55904524

IUPACN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide
SMILESCCCc1nc(NC(=O)COCc2ccccc2)sc1CC
InChIInChI=1S/C17H22N2O2S/c1-3-8-14-15(4-2)22-17(18-14)19-16(20)12-21-11-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,18,19,20)
InChIKeyZZKLPDKNJMFCHF-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.81
Rot. Bonds8

About N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide

N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide (PubChem CID 55904524) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide
PubChem CID55904524
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC NameN-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide
SMILESCCCc1nc(NC(=O)COCc2ccccc2)sc1CC
InChIInChI=1S/C17H22N2O2S/c1-3-8-14-15(4-2)22-17(18-14)19-16(20)12-21-11-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,18,19,20)
InChIKeyZZKLPDKNJMFCHF-UHFFFAOYSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide?
The IUPAC name of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide (CID 55904524) is N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide.
What is the SMILES notation for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide?
The canonical SMILES for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide is CCCc1nc(NC(=O)COCc2ccccc2)sc1CC.
What is the InChIKey of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide?
The InChIKey is ZZKLPDKNJMFCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-3-8-14-15(4-2)22-17(18-14)19-16(20)12-21-11-13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide?
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide has a molecular weight of 318.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)-2-phenylmethoxyacetamide is sourced from PubChem (CID 55904524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).