[4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

C10H19N5O2S — CID 114780204

IUPAC[4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2nnc(NN)s2)CC(CO)O1
InChIInChI=1S/C10H19N5O2S/c1-10(2)6-15(3-7(5-16)17-10)4-8-13-14-9(12-11)18-8/h7,16H,3-6,11H2,1-2H3,(H,12,14)
InChIKeyPYFJPOZMBYSTFV-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.20
Rot. Bonds4

About [4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol

[4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114780204) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is [4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114780204
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name[4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(Cc2nnc(NN)s2)CC(CO)O1
InChIInChI=1S/C10H19N5O2S/c1-10(2)6-15(3-7(5-16)17-10)4-8-13-14-9(12-11)18-8/h7,16H,3-6,11H2,1-2H3,(H,12,14)
InChIKeyPYFJPOZMBYSTFV-UHFFFAOYSA-N
XLogP-0.20
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.20
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 [4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114780204) is [4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(Cc2nnc(NN)s2)CC(CO)O1.
What is the InChIKey of [4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is PYFJPOZMBYSTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-10(2)6-15(3-7(5-16)17-10)4-8-13-14-9(12-11)18-8/h7,16H,3-6,11H2,1-2H3,(H,12,14).
What are the key properties of [4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 273.36 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114780204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).