3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol

C10H18N2OS2 — CID 66105752

IUPAC3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H18N2OS2/c1-7(5-13)6-14-9-11-8(12-15-9)10(2,3)4/h7,13H,5-6H2,1-4H3
InChIKeyMBZRRWDWGUDMOO-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.56
Rot. Bonds4

About 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol

3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol (PubChem CID 66105752) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol
PubChem CID66105752
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol
SMILESCC(CO)CSc1nc(C(C)(C)C)ns1
InChIInChI=1S/C10H18N2OS2/c1-7(5-13)6-14-9-11-8(12-15-9)10(2,3)4/h7,13H,5-6H2,1-4H3
InChIKeyMBZRRWDWGUDMOO-UHFFFAOYSA-N
XLogP2.56
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol (CID 66105752) is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol is CC(CO)CSc1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol?
The InChIKey is MBZRRWDWGUDMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-7(5-13)6-14-9-11-8(12-15-9)10(2,3)4/h7,13H,5-6H2,1-4H3.
What are the key properties of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol?
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol has a molecular weight of 246.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropan-1-ol is sourced from PubChem (CID 66105752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).