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

C11H22N4OS2 — CID 64806080

IUPAC5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCSc1nnc(N(C)C)s1
InChIInChI=1S/C11H22N4OS2/c1-11(8-16,12-2)6-5-7-17-10-14-13-9(18-10)15(3)4/h12,16H,5-8H2,1-4H3
InChIKeyZFVPSKMTTCOVKA-UHFFFAOYSA-N
MW290.46 g/mol
LogP1.45
Rot. Bonds8

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

5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol (PubChem CID 64806080) has the molecular formula C11H22N4OS2 and a molecular weight of 290.46 g/mol. Its IUPAC name is 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol
PubChem CID64806080
Molecular FormulaC11H22N4OS2
Molecular Weight290.46 g/mol
Exact Mass290.12
IUPAC Name5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol
SMILESCNC(C)(CO)CCCSc1nnc(N(C)C)s1
InChIInChI=1S/C11H22N4OS2/c1-11(8-16,12-2)6-5-7-17-10-14-13-9(18-10)15(3)4/h12,16H,5-8H2,1-4H3
InChIKeyZFVPSKMTTCOVKA-UHFFFAOYSA-N
XLogP1.45
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 51.45
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 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol?
The IUPAC name of 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol (CID 64806080) is 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol.
What is the SMILES notation for 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol?
The canonical SMILES for 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol is CNC(C)(CO)CCCSc1nnc(N(C)C)s1.
What is the InChIKey of 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol?
The InChIKey is ZFVPSKMTTCOVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4OS2/c1-11(8-16,12-2)6-5-7-17-10-14-13-9(18-10)15(3)4/h12,16H,5-8H2,1-4H3.
What are the key properties of 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol?
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol has a molecular weight of 290.46 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol is sourced from PubChem (CID 64806080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).