6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol

C13H26N4OS2 — CID 64805463

IUPAC6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCSc1nnc(N(C)C)s1
InChIInChI=1S/C13H26N4OS2/c1-5-14-13(2,10-18)8-6-7-9-19-12-16-15-11(20-12)17(3)4/h14,18H,5-10H2,1-4H3
InChIKeyOHKHRZQNHPFLDC-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.23
Rot. Bonds10

About 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol

6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol (PubChem CID 64805463) has the molecular formula C13H26N4OS2 and a molecular weight of 318.51 g/mol. Its IUPAC name is 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol.

Molecular Properties

Compound Name6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol
PubChem CID64805463
Molecular FormulaC13H26N4OS2
Molecular Weight318.51 g/mol
Exact Mass318.15
IUPAC Name6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol
SMILESCCNC(C)(CO)CCCCSc1nnc(N(C)C)s1
InChIInChI=1S/C13H26N4OS2/c1-5-14-13(2,10-18)8-6-7-9-19-12-16-15-11(20-12)17(3)4/h14,18H,5-10H2,1-4H3
InChIKeyOHKHRZQNHPFLDC-UHFFFAOYSA-N
XLogP2.23
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol?
The IUPAC name of 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol (CID 64805463) is 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol.
What is the SMILES notation for 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol?
The canonical SMILES for 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol is CCNC(C)(CO)CCCCSc1nnc(N(C)C)s1.
What is the InChIKey of 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol?
The InChIKey is OHKHRZQNHPFLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4OS2/c1-5-14-13(2,10-18)8-6-7-9-19-12-16-15-11(20-12)17(3)4/h14,18H,5-10H2,1-4H3.
What are the key properties of 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol?
6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol has a molecular weight of 318.51 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol is sourced from PubChem (CID 64805463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).