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

C8H15N3OS2 — CID 60876945

IUPAC1-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCCNCC(O)CSc1nnc(C)s1
InChIInChI=1S/C8H15N3OS2/c1-3-9-4-7(12)5-13-8-11-10-6(2)14-8/h7,9,12H,3-5H2,1-2H3
InChIKeyYYUJPPVKEFIXSO-UHFFFAOYSA-N
MW233.36 g/mol
LogP0.91
Rot. Bonds6

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

1-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 60876945) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
PubChem CID60876945
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name1-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
SMILESCCNCC(O)CSc1nnc(C)s1
InChIInChI=1S/C8H15N3OS2/c1-3-9-4-7(12)5-13-8-11-10-6(2)14-8/h7,9,12H,3-5H2,1-2H3
InChIKeyYYUJPPVKEFIXSO-UHFFFAOYSA-N
XLogP0.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol (CID 60876945) is 1-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is CCNCC(O)CSc1nnc(C)s1.
What is the InChIKey of 1-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is YYUJPPVKEFIXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-3-9-4-7(12)5-13-8-11-10-6(2)14-8/h7,9,12H,3-5H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol?
1-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 60876945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).