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

C7H13N3OS2 — CID 107511362

IUPAC1-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
SMILESCOCC(N)CSc1nnc(C)s1
InChIInChI=1S/C7H13N3OS2/c1-5-9-10-7(13-5)12-4-6(8)3-11-2/h6H,3-4,8H2,1-2H3
InChIKeyPEGFGBKSTLYRIA-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.91
Rot. Bonds5

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

1-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine (PubChem CID 107511362) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
PubChem CID107511362
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name1-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine
SMILESCOCC(N)CSc1nnc(C)s1
InChIInChI=1S/C7H13N3OS2/c1-5-9-10-7(13-5)12-4-6(8)3-11-2/h6H,3-4,8H2,1-2H3
InChIKeyPEGFGBKSTLYRIA-UHFFFAOYSA-N
XLogP0.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
The IUPAC name of 1-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine (CID 107511362) is 1-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
The canonical SMILES for 1-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine is COCC(N)CSc1nnc(C)s1.
What is the InChIKey of 1-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
The InChIKey is PEGFGBKSTLYRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-5-9-10-7(13-5)12-4-6(8)3-11-2/h6H,3-4,8H2,1-2H3.
What are the key properties of 1-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine?
1-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-amine is sourced from PubChem (CID 107511362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).