2-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol

C9H17N3OS2 — CID 64805991

IUPAC2-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
SMILESCNC(C)(CO)CCCSc1nncs1
InChIInChI=1S/C9H17N3OS2/c1-9(6-13,10-2)4-3-5-14-8-12-11-7-15-8/h7,10,13H,3-6H2,1-2H3
InChIKeyJLNNGKPCKNRTRU-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.38
Rot. Bonds7

About 2-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol

2-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol (PubChem CID 64805991) has the molecular formula C9H17N3OS2 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
PubChem CID64805991
Molecular FormulaC9H17N3OS2
Molecular Weight247.39 g/mol
Exact Mass247.08
IUPAC Name2-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
SMILESCNC(C)(CO)CCCSc1nncs1
InChIInChI=1S/C9H17N3OS2/c1-9(6-13,10-2)4-3-5-14-8-12-11-7-15-8/h7,10,13H,3-6H2,1-2H3
InChIKeyJLNNGKPCKNRTRU-UHFFFAOYSA-N
XLogP1.38
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.38
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-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The IUPAC name of 2-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol (CID 64805991) is 2-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol is CNC(C)(CO)CCCSc1nncs1.
What is the InChIKey of 2-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The InChIKey is JLNNGKPCKNRTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS2/c1-9(6-13,10-2)4-3-5-14-8-12-11-7-15-8/h7,10,13H,3-6H2,1-2H3.
What are the key properties of 2-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
2-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol has a molecular weight of 247.39 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol is sourced from PubChem (CID 64805991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).