2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol

C10H19N3OS2 — CID 64807895

IUPAC2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol
SMILESCc1nnc(SCCCCC(C)(N)CO)s1
InChIInChI=1S/C10H19N3OS2/c1-8-12-13-9(16-8)15-6-4-3-5-10(2,11)7-14/h14H,3-7,11H2,1-2H3
InChIKeyJEAFIFDHYYUOIR-UHFFFAOYSA-N
MW261.42 g/mol
LogP1.82
Rot. Bonds7

About 2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol

2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol (PubChem CID 64807895) has the molecular formula C10H19N3OS2 and a molecular weight of 261.42 g/mol. Its IUPAC name is 2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol
PubChem CID64807895
Molecular FormulaC10H19N3OS2
Molecular Weight261.42 g/mol
Exact Mass261.10
IUPAC Name2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol
SMILESCc1nnc(SCCCCC(C)(N)CO)s1
InChIInChI=1S/C10H19N3OS2/c1-8-12-13-9(16-8)15-6-4-3-5-10(2,11)7-14/h14H,3-7,11H2,1-2H3
InChIKeyJEAFIFDHYYUOIR-UHFFFAOYSA-N
XLogP1.82
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol?
The IUPAC name of 2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol (CID 64807895) is 2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol?
The canonical SMILES for 2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol is Cc1nnc(SCCCCC(C)(N)CO)s1.
What is the InChIKey of 2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol?
The InChIKey is JEAFIFDHYYUOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS2/c1-8-12-13-9(16-8)15-6-4-3-5-10(2,11)7-14/h14H,3-7,11H2,1-2H3.
What are the key properties of 2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol?
2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol has a molecular weight of 261.42 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]hexan-1-ol is sourced from PubChem (CID 64807895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).