5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol

C11H21N3OS2 — CID 60613691

IUPAC5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol
SMILESCC(C)CNc1nnc(SCCCCCO)s1
InChIInChI=1S/C11H21N3OS2/c1-9(2)8-12-10-13-14-11(17-10)16-7-5-3-4-6-15/h9,15H,3-8H2,1-2H3,(H,12,13)
InChIKeyDVHUPTFYVXMSDI-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.86
Rot. Bonds9

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

5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol (PubChem CID 60613691) has the molecular formula C11H21N3OS2 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol.

Molecular Properties

Compound Name5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol
PubChem CID60613691
Molecular FormulaC11H21N3OS2
Molecular Weight275.44 g/mol
Exact Mass275.11
IUPAC Name5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol
SMILESCC(C)CNc1nnc(SCCCCCO)s1
InChIInChI=1S/C11H21N3OS2/c1-9(2)8-12-10-13-14-11(17-10)16-7-5-3-4-6-15/h9,15H,3-8H2,1-2H3,(H,12,13)
InChIKeyDVHUPTFYVXMSDI-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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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Related Compounds

4-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanenitrile
CID 30932144
2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 9379650
N-ethyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 27987886
N-acetyl-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379661
5-[2-(4-methoxyphenyl)ethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 30932208
2-[[5-(tert-butylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
CID 39850655
5-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol
CID 60613869
N-(cyclopropylmethyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 35164965
3-[[5-(2-thiophen-2-ylethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-ol
CID 47130725
1-(1H-indol-3-yl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 27987869
N-methyl-N-(4-methylcyclohexyl)-2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 46626738
5-[(3-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 83380839

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol?
The IUPAC name of 5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol (CID 60613691) is 5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol.
What is the SMILES notation for 5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol?
The canonical SMILES for 5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol is CC(C)CNc1nnc(SCCCCCO)s1.
What is the InChIKey of 5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol?
The InChIKey is DVHUPTFYVXMSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS2/c1-9(2)8-12-10-13-14-11(17-10)16-7-5-3-4-6-15/h9,15H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol?
5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol has a molecular weight of 275.44 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentan-1-ol is sourced from PubChem (CID 60613691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).