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

C10H18N2O2S2 — CID 71984515

IUPAC2-methyl-4-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol
SMILESCC(C)Oc1nnc(SCCC(C)(C)O)s1
InChIInChI=1S/C10H18N2O2S2/c1-7(2)14-8-11-12-9(16-8)15-6-5-10(3,4)13/h7,13H,5-6H2,1-4H3
InChIKeyABERMQPWHYVBLA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.58
Rot. Bonds6

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

2-methyl-4-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol (PubChem CID 71984515) has the molecular formula C10H18N2O2S2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-4-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol
PubChem CID71984515
Molecular FormulaC10H18N2O2S2
Molecular Weight262.40 g/mol
Exact Mass262.08
IUPAC Name2-methyl-4-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol
SMILESCC(C)Oc1nnc(SCCC(C)(C)O)s1
InChIInChI=1S/C10H18N2O2S2/c1-7(2)14-8-11-12-9(16-8)15-6-5-10(3,4)13/h7,13H,5-6H2,1-4H3
InChIKeyABERMQPWHYVBLA-UHFFFAOYSA-N
XLogP2.58
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol?
The IUPAC name of 2-methyl-4-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol (CID 71984515) is 2-methyl-4-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol is CC(C)Oc1nnc(SCCC(C)(C)O)s1.
What is the InChIKey of 2-methyl-4-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol?
The InChIKey is ABERMQPWHYVBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S2/c1-7(2)14-8-11-12-9(16-8)15-6-5-10(3,4)13/h7,13H,5-6H2,1-4H3.
What are the key properties of 2-methyl-4-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol?
2-methyl-4-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol has a molecular weight of 262.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]butan-2-ol is sourced from PubChem (CID 71984515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).