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

C13H26N4OS2 — CID 64805670

IUPAC4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C13H26N4OS2/c1-6-7-14-13(3,9-18)8-10(2)19-12-16-15-11(20-12)17(4)5/h10,14,18H,6-9H2,1-5H3
InChIKeyIVPOIJMVBPTAKU-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.23
Rot. Bonds9

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

4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64805670) has the molecular formula C13H26N4OS2 and a molecular weight of 318.51 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64805670
Molecular FormulaC13H26N4OS2
Molecular Weight318.51 g/mol
Exact Mass318.15
IUPAC Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)Sc1nnc(N(C)C)s1
InChIInChI=1S/C13H26N4OS2/c1-6-7-14-13(3,9-18)8-10(2)19-12-16-15-11(20-12)17(4)5/h10,14,18H,6-9H2,1-5H3
InChIKeyIVPOIJMVBPTAKU-UHFFFAOYSA-N
XLogP2.23
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
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

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol (CID 64805670) is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol is CCCNC(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-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is IVPOIJMVBPTAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4OS2/c1-6-7-14-13(3,9-18)8-10(2)19-12-16-15-11(20-12)17(4)5/h10,14,18H,6-9H2,1-5H3.
What are the key properties of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol?
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 318.51 g/mol, XLogP of 2.23, 9 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-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64805670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).