1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol

C8H15N3OS3 — CID 115383077

IUPAC1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCCNCC(O)CSc1nnc(SC)s1
InChIInChI=1S/C8H15N3OS3/c1-3-9-4-6(12)5-14-8-11-10-7(13-2)15-8/h6,9,12H,3-5H2,1-2H3
InChIKeyIPJIGYJYBGJFTR-UHFFFAOYSA-N
MW265.43 g/mol
LogP1.32
Rot. Bonds7

About 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol

1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 115383077) has the molecular formula C8H15N3OS3 and a molecular weight of 265.43 g/mol. Its IUPAC name is 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID115383077
Molecular FormulaC8H15N3OS3
Molecular Weight265.43 g/mol
Exact Mass265.04
IUPAC Name1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCCNCC(O)CSc1nnc(SC)s1
InChIInChI=1S/C8H15N3OS3/c1-3-9-4-6(12)5-14-8-11-10-7(13-2)15-8/h6,9,12H,3-5H2,1-2H3
InChIKeyIPJIGYJYBGJFTR-UHFFFAOYSA-N
XLogP1.32
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (CID 115383077) is 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is CCNCC(O)CSc1nnc(SC)s1.
What is the InChIKey of 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is IPJIGYJYBGJFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS3/c1-3-9-4-6(12)5-14-8-11-10-7(13-2)15-8/h6,9,12H,3-5H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 265.43 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 115383077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).