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

C14H19N3OS3 — CID 115384119

IUPAC1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCCOc1ccc(C(CSc2nnc(SC)s2)NC)cc1
InChIInChI=1S/C14H19N3OS3/c1-4-18-11-7-5-10(6-8-11)12(15-2)9-20-14-17-16-13(19-3)21-14/h5-8,12,15H,4,9H2,1-3H3
InChIKeyBNIUHFKESJCYPT-UHFFFAOYSA-N
MW341.53 g/mol
LogP3.71
Rot. Bonds8

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

1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (PubChem CID 115384119) has the molecular formula C14H19N3OS3 and a molecular weight of 341.53 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
PubChem CID115384119
Molecular FormulaC14H19N3OS3
Molecular Weight341.53 g/mol
Exact Mass341.07
IUPAC Name1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
SMILESCCOc1ccc(C(CSc2nnc(SC)s2)NC)cc1
InChIInChI=1S/C14H19N3OS3/c1-4-18-11-7-5-10(6-8-11)12(15-2)9-20-14-17-16-13(19-3)21-14/h5-8,12,15H,4,9H2,1-3H3
InChIKeyBNIUHFKESJCYPT-UHFFFAOYSA-N
XLogP3.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine (CID 115384119) is 1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is CCOc1ccc(C(CSc2nnc(SC)s2)NC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
The InChIKey is BNIUHFKESJCYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS3/c1-4-18-11-7-5-10(6-8-11)12(15-2)9-20-14-17-16-13(19-3)21-14/h5-8,12,15H,4,9H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine?
1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine has a molecular weight of 341.53 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 115384119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).