N-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

C14H17N3O2S2 — CID 752193

IUPACN-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCCOc1ccc(NC(=O)CCSc2nnc(C)s2)cc1
InChIInChI=1S/C14H17N3O2S2/c1-3-19-12-6-4-11(5-7-12)15-13(18)8-9-20-14-17-16-10(2)21-14/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyKFKRUVJHCLMZIC-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.37
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

N-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (PubChem CID 752193) has the molecular formula C14H17N3O2S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
PubChem CID752193
Molecular FormulaC14H17N3O2S2
Molecular Weight323.44 g/mol
Exact Mass323.08
IUPAC NameN-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
SMILESCCOc1ccc(NC(=O)CCSc2nnc(C)s2)cc1
InChIInChI=1S/C14H17N3O2S2/c1-3-19-12-6-4-11(5-7-12)15-13(18)8-9-20-14-17-16-10(2)21-14/h4-7H,3,8-9H2,1-2H3,(H,15,18)
InChIKeyKFKRUVJHCLMZIC-UHFFFAOYSA-N
XLogP3.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide 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

N-(4-Ethoxy-phenyl)-3-[(2-thiophen-2-yl-acetyl)-hydrazono]-butyramide
CID 9594049
N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 845562
Mls000758482
CID 331795
2-[(5-Amino-1,3,4-thiadiazol-2-yl)thio]-N-(4-methoxyphenyl)acetamide
CID 698766
1-(4-Ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 881180
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2063633
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 2999001
1-(4-ethoxyphenyl)-2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1H-pyrimidin-2-yl]guanidine
CID 135643199
N-(3-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 763323
N-(4-methoxyphenyl)-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 6463398
2-(5-Amino-[1,3,4]thiadiazol-2-yl)-N-(4-methoxy-phenyl)-acetamide
CID 6487525
N-(4-ethoxyphenyl)-4-oxo-4-[2-(1-thien-2-ylethylidene)hydrazino]butanamide
CID 9633146

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide (CID 752193) is N-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is CCOc1ccc(NC(=O)CCSc2nnc(C)s2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is KFKRUVJHCLMZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S2/c1-3-19-12-6-4-11(5-7-12)15-13(18)8-9-20-14-17-16-10(2)21-14/h4-7H,3,8-9H2,1-2H3,(H,15,18).
What are the key properties of N-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide?
N-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 323.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 752193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).