5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol

C10H20N6OS — CID 80614598

IUPAC5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1nnc(NN)s1
InChIInChI=1S/C10H20N6OS/c1-15(2)4-7-3-8(17)5-16(7)6-9-13-14-10(12-11)18-9/h7-8,17H,3-6,11H2,1-2H3,(H,12,14)
InChIKeyKIGQLUHZIFNSBL-UHFFFAOYSA-N
MW272.38 g/mol
LogP-0.68
Rot. Bonds5

About 5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol (PubChem CID 80614598) has the molecular formula C10H20N6OS and a molecular weight of 272.38 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol
PubChem CID80614598
Molecular FormulaC10H20N6OS
Molecular Weight272.38 g/mol
Exact Mass272.14
IUPAC Name5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1Cc1nnc(NN)s1
InChIInChI=1S/C10H20N6OS/c1-15(2)4-7-3-8(17)5-16(7)6-9-13-14-10(12-11)18-9/h7-8,17H,3-6,11H2,1-2H3,(H,12,14)
InChIKeyKIGQLUHZIFNSBL-UHFFFAOYSA-N
XLogP-0.68
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol (CID 80614598) is 5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1Cc1nnc(NN)s1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol?
The InChIKey is KIGQLUHZIFNSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6OS/c1-15(2)4-7-3-8(17)5-16(7)6-9-13-14-10(12-11)18-9/h7-8,17H,3-6,11H2,1-2H3,(H,12,14).
What are the key properties of 5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol has a molecular weight of 272.38 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 80614598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).