1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-2-amine

C8H15N3OS2 — CID 107511526

IUPAC1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-2-amine
SMILESCCc1nsc(SCC(N)COC)n1
InChIInChI=1S/C8H15N3OS2/c1-3-7-10-8(14-11-7)13-5-6(9)4-12-2/h6H,3-5,9H2,1-2H3
InChIKeyBBXFNUOEGIIBCI-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.17
Rot. Bonds6

About 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-2-amine

1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-2-amine (PubChem CID 107511526) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-2-amine
PubChem CID107511526
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-2-amine
SMILESCCc1nsc(SCC(N)COC)n1
InChIInChI=1S/C8H15N3OS2/c1-3-7-10-8(14-11-7)13-5-6(9)4-12-2/h6H,3-5,9H2,1-2H3
InChIKeyBBXFNUOEGIIBCI-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-5-(methoxymethylsulfanyl)-1,2,4-thiadiazole
CID 131206873
1-cyclopentyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanamine
CID 104755981
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropanoic acid
CID 103224340
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-1-(3-fluorophenyl)ethanamine
CID 107525442
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]-3,3,3-trifluoropropanenitrile
CID 103371268
5-tert-butylsulfanyl-3-ethyl-1,2,4-thiadiazole
CID 130614845
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
CID 21403843
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pentanenitrile
CID 71854450
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4,5-dimethoxyaniline
CID 83008111
1-methoxy-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-amine
CID 107511553
3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propane-1,2-diol
CID 79682727
2-methyl-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-ol
CID 66105754

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-2-amine?
The IUPAC name of 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-2-amine (CID 107511526) is 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-2-amine.
What is the SMILES notation for 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-2-amine?
The canonical SMILES for 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-2-amine is CCc1nsc(SCC(N)COC)n1.
What is the InChIKey of 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-2-amine?
The InChIKey is BBXFNUOEGIIBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-3-7-10-8(14-11-7)13-5-6(9)4-12-2/h6H,3-5,9H2,1-2H3.
What are the key properties of 1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-2-amine?
1-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-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-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-methoxypropan-2-amine is sourced from PubChem (CID 107511526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).