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

C11H21N3OS2 — CID 64806404

IUPAC2-methyl-2-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
SMILESCCCNC(C)(CO)CCCSc1nncs1
InChIInChI=1S/C11H21N3OS2/c1-3-6-12-11(2,8-15)5-4-7-16-10-14-13-9-17-10/h9,12,15H,3-8H2,1-2H3
InChIKeyNXJXRGSKYDAPOJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.16
Rot. Bonds9

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

2-methyl-2-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol (PubChem CID 64806404) has the molecular formula C11H21N3OS2 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-methyl-2-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
PubChem CID64806404
Molecular FormulaC11H21N3OS2
Molecular Weight275.44 g/mol
Exact Mass275.11
IUPAC Name2-methyl-2-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
SMILESCCCNC(C)(CO)CCCSc1nncs1
InChIInChI=1S/C11H21N3OS2/c1-3-6-12-11(2,8-15)5-4-7-16-10-14-13-9-17-10/h9,12,15H,3-8H2,1-2H3
InChIKeyNXJXRGSKYDAPOJ-UHFFFAOYSA-N
XLogP2.16
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.16
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-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The IUPAC name of 2-methyl-2-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol (CID 64806404) is 2-methyl-2-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol.
What is the SMILES notation for 2-methyl-2-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The canonical SMILES for 2-methyl-2-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol is CCCNC(C)(CO)CCCSc1nncs1.
What is the InChIKey of 2-methyl-2-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
The InChIKey is NXJXRGSKYDAPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS2/c1-3-6-12-11(2,8-15)5-4-7-16-10-14-13-9-17-10/h9,12,15H,3-8H2,1-2H3.
What are the key properties of 2-methyl-2-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol?
2-methyl-2-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol is sourced from PubChem (CID 64806404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).