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

C13H26N4OS2 — CID 64805668

IUPAC5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCSc1nnc(N(C)C)s1
InChIInChI=1S/C13H26N4OS2/c1-10(2)14-13(3,9-18)7-6-8-19-12-16-15-11(20-12)17(4)5/h10,14,18H,6-9H2,1-5H3
InChIKeyTUQQRRCLPOZMQI-UHFFFAOYSA-N
MW318.51 g/mol
LogP2.23
Rot. Bonds9

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

5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64805668) has the molecular formula C13H26N4OS2 and a molecular weight of 318.51 g/mol. Its IUPAC name is 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64805668
Molecular FormulaC13H26N4OS2
Molecular Weight318.51 g/mol
Exact Mass318.15
IUPAC Name5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCSc1nnc(N(C)C)s1
InChIInChI=1S/C13H26N4OS2/c1-10(2)14-13(3,9-18)7-6-8-19-12-16-15-11(20-12)17(4)5/h10,14,18H,6-9H2,1-5H3
InChIKeyTUQQRRCLPOZMQI-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(propan-2-ylamino)propan-2-ol
CID 55242984
6-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylhexan-1-ol
CID 64805463
6-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64805464
4-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)-2-methylpentan-1-ol
CID 64805465
2-(Cyclopropylamino)-5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpentan-1-ol
CID 64805669
4-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol
CID 64805670
2-Amino-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]butan-1-ol
CID 64805671
3-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(methylamino)propan-1-ol
CID 64805672
4-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)butan-1-ol
CID 64805868
3-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-(ethylamino)propan-1-ol
CID 64805869
2-(Cyclopropylamino)-4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylbutan-1-ol
CID 64805870
5-[[5-(Dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(methylamino)pentan-1-ol
CID 64806080

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64805668) is 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CC(C)NC(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-(propan-2-ylamino)pentan-1-ol?
The InChIKey is TUQQRRCLPOZMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4OS2/c1-10(2)14-13(3,9-18)7-6-8-19-12-16-15-11(20-12)17(4)5/h10,14,18H,6-9H2,1-5H3.
What are the key properties of 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)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 5-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64805668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).