N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide

C17H21N3O3S — CID 19178929

IUPACN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)Nc2nnc(C3CCCO3)s2)c1
InChIInChI=1S/C17H21N3O3S/c1-10-7-11(2)12(3)14(8-10)23-9-15(21)18-17-20-19-16(24-17)13-5-4-6-22-13/h7-8,13H,4-6,9H2,1-3H3,(H,18,20,21)
InChIKeyUWGCELQPUDLDHZ-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.33
Rot. Bonds5

About N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide

N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide (PubChem CID 19178929) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
PubChem CID19178929
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(C)c(OCC(=O)Nc2nnc(C3CCCO3)s2)c1
InChIInChI=1S/C17H21N3O3S/c1-10-7-11(2)12(3)14(8-10)23-9-15(21)18-17-20-19-16(24-17)13-5-4-6-22-13/h7-8,13H,4-6,9H2,1-3H3,(H,18,20,21)
InChIKeyUWGCELQPUDLDHZ-UHFFFAOYSA-N
XLogP3.33
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromophenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178796
2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178932
2-(4-ethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178444
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]acetamide
CID 39040573
3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 16876533
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 42335736
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 19183928
4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19191706
2-(4-aminophenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110451756
N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
CID 97263465
3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221058

Frequently Asked Questions

What is the IUPAC name of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide?
The IUPAC name of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide (CID 19178929) is N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide.
What is the SMILES notation for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide?
The canonical SMILES for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide is Cc1cc(C)c(C)c(OCC(=O)Nc2nnc(C3CCCO3)s2)c1.
What is the InChIKey of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide?
The InChIKey is UWGCELQPUDLDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-10-7-11(2)12(3)14(8-10)23-9-15(21)18-17-20-19-16(24-17)13-5-4-6-22-13/h7-8,13H,4-6,9H2,1-3H3,(H,18,20,21).
What are the key properties of N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide?
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide has a molecular weight of 347.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(2,3,5-trimethylphenoxy)acetamide is sourced from PubChem (CID 19178929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).