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

C12H24N4OS2 — CID 64805465

IUPAC4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C12H24N4OS2/c1-6-13-12(3,8-17)7-9(2)18-11-15-14-10(19-11)16(4)5/h9,13,17H,6-8H2,1-5H3
InChIKeyGXJJLGYPRVXEAO-UHFFFAOYSA-N
MW304.49 g/mol
LogP1.84
Rot. Bonds8

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

4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpentan-1-ol (PubChem CID 64805465) has the molecular formula C12H24N4OS2 and a molecular weight of 304.49 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpentan-1-ol
PubChem CID64805465
Molecular FormulaC12H24N4OS2
Molecular Weight304.49 g/mol
Exact Mass304.14
IUPAC Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpentan-1-ol
SMILESCCNC(C)(CO)CC(C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C12H24N4OS2/c1-6-13-12(3,8-17)7-9(2)18-11-15-14-10(19-11)16(4)5/h9,13,17H,6-8H2,1-5H3
InChIKeyGXJJLGYPRVXEAO-UHFFFAOYSA-N
XLogP1.84
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.49
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpentan-1-ol?
The IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpentan-1-ol (CID 64805465) is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpentan-1-ol is CCNC(C)(CO)CC(C)Sc1nnc(N(C)C)s1.
What is the InChIKey of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpentan-1-ol?
The InChIKey is GXJJLGYPRVXEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4OS2/c1-6-13-12(3,8-17)7-9(2)18-11-15-14-10(19-11)16(4)5/h9,13,17H,6-8H2,1-5H3.
What are the key properties of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpentan-1-ol?
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpentan-1-ol has a molecular weight of 304.49 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 64805465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).