N-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C18H20N4O3S2 — CID 1448010

IUPACN-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCN(C(=O)CSc1nnc(COc2cccc(C)c2)o1)c1nc(C)cs1
InChIInChI=1S/C18H20N4O3S2/c1-4-22(17-19-13(3)10-26-17)16(23)11-27-18-21-20-15(25-18)9-24-14-7-5-6-12(2)8-14/h5-8,10H,4,9,11H2,1-3H3
InChIKeyQMGANQSSTLSBND-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.87
Rot. Bonds8

About N-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

N-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1448010) has the molecular formula C18H20N4O3S2 and a molecular weight of 404.52 g/mol. Its IUPAC name is N-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID1448010
Molecular FormulaC18H20N4O3S2
Molecular Weight404.52 g/mol
Exact Mass404.10
IUPAC NameN-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCN(C(=O)CSc1nnc(COc2cccc(C)c2)o1)c1nc(C)cs1
InChIInChI=1S/C18H20N4O3S2/c1-4-22(17-19-13(3)10-26-17)16(23)11-27-18-21-20-15(25-18)9-24-14-7-5-6-12(2)8-14/h5-8,10H,4,9,11H2,1-3H3
InChIKeyQMGANQSSTLSBND-UHFFFAOYSA-N
XLogP3.87
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-({5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 1276990
N-Methyl-N-(4-methyl-thiazol-2-yl)-2-[5-(naphthalen-1-yloxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 651697
N-Methyl-N-(4-methyl-thiazol-2-yl)-2-(5-o-tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 646856
2-({5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 1334260
N-[4-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2-fluorophenyl)acetamide
CID 24384814
N-(2-fluorophenyl)-N-[4-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 45644576
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 45917167
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-(4-methyl-1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60560434
2-({4-ethyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1303435
2-({5-[(4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}thio)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1303660
2-({5-[(3,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl}thio)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2711902
2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1160741

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 1448010) is N-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CCN(C(=O)CSc1nnc(COc2cccc(C)c2)o1)c1nc(C)cs1.
What is the InChIKey of N-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QMGANQSSTLSBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S2/c1-4-22(17-19-13(3)10-26-17)16(23)11-27-18-21-20-15(25-18)9-24-14-7-5-6-12(2)8-14/h5-8,10H,4,9,11H2,1-3H3.
What are the key properties of N-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 404.52 g/mol, XLogP of 3.87, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1448010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).