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

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Related Compounds

N-methyl-1-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64648111
1-(4-ethoxyphenyl)-N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604579
1-(4-ethoxyphenyl)-N-methyl-2-pyrazin-2-ylsulfanylethanamine
CID 64625820
N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64627300
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(4-ethoxyphenyl)-N-methylethanamine
CID 64629033
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanylbutan-2-ol
CID 107772633
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
3-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66103243
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 115841626
4-ethoxy-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 100668931
1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328

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).