2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine

C8H15N3OS2 — CID 63071605

IUPAC2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCCOC(CN)CSc1nnc(C)s1
InChIInChI=1S/C8H15N3OS2/c1-3-12-7(4-9)5-13-8-11-10-6(2)14-8/h7H,3-5,9H2,1-2H3
InChIKeyDQSRWOWJCXAHOL-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.30
Rot. Bonds6

About 2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine

2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine (PubChem CID 63071605) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
PubChem CID63071605
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
SMILESCCOC(CN)CSc1nnc(C)s1
InChIInChI=1S/C8H15N3OS2/c1-3-12-7(4-9)5-13-8-11-10-6(2)14-8/h7H,3-5,9H2,1-2H3
InChIKeyDQSRWOWJCXAHOL-UHFFFAOYSA-N
XLogP1.30
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine 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

1-Amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 60876761
2-Ethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
CID 63071661
2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]morpholine
CID 64535488
1-Amino-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol
CID 64813834
2-[2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethoxy]ethanamine
CID 103482649
3-[5-(1-Methoxyethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 104096156
1-Methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
CID 107511362
1-methoxy-N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
CID 107511365
3-[5-(Propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]propan-1-amine
CID 112605766
2-[5-(Propan-2-yloxymethyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 112605772
2-Ethoxy-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine
CID 115383219
2-Ethoxy-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]butan-1-amine
CID 115383243

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The IUPAC name of 2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine (CID 63071605) is 2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine is CCOC(CN)CSc1nnc(C)s1.
What is the InChIKey of 2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
The InChIKey is DQSRWOWJCXAHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-3-12-7(4-9)5-13-8-11-10-6(2)14-8/h7H,3-5,9H2,1-2H3.
What are the key properties of 2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine?
2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 63071605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).