2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol

C11H21N3OS2 — CID 64806619

IUPAC2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol
SMILESCCNC(C)(CO)CCCCSc1nncs1
InChIInChI=1S/C11H21N3OS2/c1-3-12-11(2,8-15)6-4-5-7-16-10-14-13-9-17-10/h9,12,15H,3-8H2,1-2H3
InChIKeyLPLGVKMYWFUDFX-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.16
Rot. Bonds9

About 2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol

2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol (PubChem CID 64806619) has the molecular formula C11H21N3OS2 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol
PubChem CID64806619
Molecular FormulaC11H21N3OS2
Molecular Weight275.44 g/mol
Exact Mass275.11
IUPAC Name2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol
SMILESCCNC(C)(CO)CCCCSc1nncs1
InChIInChI=1S/C11H21N3OS2/c1-3-12-11(2,8-15)6-4-5-7-16-10-14-13-9-17-10/h9,12,15H,3-8H2,1-2H3
InChIKeyLPLGVKMYWFUDFX-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'}

Analyze 2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64806204
N-tert-butyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-amine
CID 62577258
2-ethyl-2-(methylamino)-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 106810940
2-methyl-2-(methylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805993
2,2-dimethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexanenitrile
CID 106712592
3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 43388629
1-amino-2-methyl-5-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-2-ol
CID 64812783
2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(propylamino)hexan-1-ol
CID 64808290
2-methyl-N-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]butan-2-amine
CID 62577260
2-amino-2-methyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-ol
CID 64805388
6-(2,4-difluorophenyl)sulfanyl-2-(ethylamino)-2-methylhexan-1-ol
CID 64820158
2-(ethylamino)-6-(2-methoxyphenyl)sulfanyl-2-methylhexan-1-ol
CID 64821924

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol (CID 64806619) is 2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol is CCNC(C)(CO)CCCCSc1nncs1.
What is the InChIKey of 2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol?
The InChIKey is LPLGVKMYWFUDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS2/c1-3-12-11(2,8-15)6-4-5-7-16-10-14-13-9-17-10/h9,12,15H,3-8H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol?
2-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-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-(ethylamino)-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)hexan-1-ol is sourced from PubChem (CID 64806619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).