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

C8H15N3OS — CID 107269261

IUPAC5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
SMILESCc1nsc(NCCCC(C)O)n1
InChIInChI=1S/C8H15N3OS/c1-6(12)4-3-5-9-8-10-7(2)11-13-8/h6,12H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyFFNYSIKAJMREKL-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.42
Rot. Bonds5

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

5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol (PubChem CID 107269261) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
PubChem CID107269261
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
SMILESCc1nsc(NCCCC(C)O)n1
InChIInChI=1S/C8H15N3OS/c1-6(12)4-3-5-9-8-10-7(2)11-13-8/h6,12H,3-5H2,1-2H3,(H,9,10,11)
InChIKeyFFNYSIKAJMREKL-UHFFFAOYSA-N
XLogP1.42
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloropentyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 106124940
3-methyl-N-(7-methyloctyl)-1,2,4-thiadiazol-5-amine
CID 107816082
N-(3-chloropropyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273352
1-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-2-ol
CID 103875675
N-(2-chloroethyl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65273353
N'-(3-methyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65267731
3-methyl-N-(3-methylsulfinylpropyl)-1,2,4-thiadiazol-5-amine
CID 115657519
3-methyl-N-(3-propoxypropyl)-1,2,4-thiadiazol-5-amine
CID 82943965
3-methyl-1-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol
CID 133352699
5-(1,3,4-thiadiazol-2-ylamino)pentan-2-ol
CID 106128419
3-ethyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine
CID 65271707
3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]butan-1-ol
CID 79033406

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol (CID 107269261) is 5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol is Cc1nsc(NCCCC(C)O)n1.
What is the InChIKey of 5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol?
The InChIKey is FFNYSIKAJMREKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-6(12)4-3-5-9-8-10-7(2)11-13-8/h6,12H,3-5H2,1-2H3,(H,9,10,11).
What are the key properties of 5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol?
5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol has a molecular weight of 201.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pentan-2-ol is sourced from PubChem (CID 107269261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).