3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol

C11H21N3OS2 — CID 114370705

IUPAC3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol
SMILESCCc1nsc(SC(CO)C(N)CC(C)C)n1
InChIInChI=1S/C11H21N3OS2/c1-4-10-13-11(17-14-10)16-9(6-15)8(12)5-7(2)3/h7-9,15H,4-6,12H2,1-3H3
InChIKeyAQOAWBVONRLBLM-UHFFFAOYSA-N
MW275.44 g/mol
LogP1.93
Rot. Bonds7

About 3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol

3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol (PubChem CID 114370705) has the molecular formula C11H21N3OS2 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol.

Molecular Properties

Compound Name3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol
PubChem CID114370705
Molecular FormulaC11H21N3OS2
Molecular Weight275.44 g/mol
Exact Mass275.11
IUPAC Name3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol
SMILESCCc1nsc(SC(CO)C(N)CC(C)C)n1
InChIInChI=1S/C11H21N3OS2/c1-4-10-13-11(17-14-10)16-9(6-15)8(12)5-7(2)3/h7-9,15H,4-6,12H2,1-3H3
InChIKeyAQOAWBVONRLBLM-UHFFFAOYSA-N
XLogP1.93
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol?
The IUPAC name of 3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol (CID 114370705) is 3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol.
What is the SMILES notation for 3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol?
The canonical SMILES for 3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol is CCc1nsc(SC(CO)C(N)CC(C)C)n1.
What is the InChIKey of 3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol?
The InChIKey is AQOAWBVONRLBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS2/c1-4-10-13-11(17-14-10)16-9(6-15)8(12)5-7(2)3/h7-9,15H,4-6,12H2,1-3H3.
What are the key properties of 3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol?
3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-methylhexan-1-ol is sourced from PubChem (CID 114370705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).