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

C8H15N3OS2 — CID 107511365

IUPAC1-methoxy-N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
SMILESCNC(COC)CSc1nnc(C)s1
InChIInChI=1S/C8H15N3OS2/c1-6-10-11-8(14-6)13-5-7(9-2)4-12-3/h7,9H,4-5H2,1-3H3
InChIKeyHMLLMEOKIZMERH-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.17
Rot. Bonds6

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

1-methoxy-N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine (PubChem CID 107511365) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-methoxy-N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
PubChem CID107511365
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name1-methoxy-N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
SMILESCNC(COC)CSc1nnc(C)s1
InChIInChI=1S/C8H15N3OS2/c1-6-10-11-8(14-6)13-5-7(9-2)4-12-3/h7,9H,4-5H2,1-3H3
InChIKeyHMLLMEOKIZMERH-UHFFFAOYSA-N
XLogP1.17
TPSA47.04 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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine (CID 107511365) is 1-methoxy-N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine is CNC(COC)CSc1nnc(C)s1.
What is the InChIKey of 1-methoxy-N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
The InChIKey is HMLLMEOKIZMERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-6-10-11-8(14-6)13-5-7(9-2)4-12-3/h7,9H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
1-methoxy-N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine has a molecular weight of 233.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine is sourced from PubChem (CID 107511365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).