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

C11H19N3OS2 — CID 64805792

IUPAC2-(cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
SMILESCC(CO)(CCCSc1nncs1)NC1CC1
InChIInChI=1S/C11H19N3OS2/c1-11(7-15,13-9-3-4-9)5-2-6-16-10-14-12-8-17-10/h8-9,13,15H,2-7H2,1H3
InChIKeyAQDVXRRLLRJJAT-UHFFFAOYSA-N
MW273.43 g/mol
LogP1.91
Rot. Bonds8

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

2-(cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol (PubChem CID 64805792) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
PubChem CID64805792
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name2-(cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
SMILESCC(CO)(CCCSc1nncs1)NC1CC1
InChIInChI=1S/C11H19N3OS2/c1-11(7-15,13-9-3-4-9)5-2-6-16-10-14-12-8-17-10/h8-9,13,15H,2-7H2,1H3
InChIKeyAQDVXRRLLRJJAT-UHFFFAOYSA-N
XLogP1.91
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 51.91
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-(cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol (CID 64805792) is 2-(cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol is CC(CO)(CCCSc1nncs1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The InChIKey is AQDVXRRLLRJJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-11(7-15,13-9-3-4-9)5-2-6-16-10-14-12-8-17-10/h8-9,13,15H,2-7H2,1H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
2-(cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol has a molecular weight of 273.43 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol is sourced from PubChem (CID 64805792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).