4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide

C8H14N6O2S — CID 83095661

IUPAC4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide
SMILESNNc1nnc(CN2CCOCC2C(N)=O)s1
InChIInChI=1S/C8H14N6O2S/c9-7(15)5-4-16-2-1-14(5)3-6-12-13-8(11-10)17-6/h5H,1-4,10H2,(H2,9,15)(H,11,13)
InChIKeyGEEDUMHLSWZNJV-UHFFFAOYSA-N
MW258.31 g/mol
LogP-1.49
Rot. Bonds4

About 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide

4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide (PubChem CID 83095661) has the molecular formula C8H14N6O2S and a molecular weight of 258.31 g/mol. Its IUPAC name is 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide
PubChem CID83095661
Molecular FormulaC8H14N6O2S
Molecular Weight258.31 g/mol
Exact Mass258.09
IUPAC Name4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide
SMILESNNc1nnc(CN2CCOCC2C(N)=O)s1
InChIInChI=1S/C8H14N6O2S/c9-7(15)5-4-16-2-1-14(5)3-6-12-13-8(11-10)17-6/h5H,1-4,10H2,(H2,9,15)(H,11,13)
InChIKeyGEEDUMHLSWZNJV-UHFFFAOYSA-N
XLogP-1.49
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 5-1.49
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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Related Compounds

4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide
CID 83096013
N-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]morpholine-3-carboxamide
CID 83103084
4-[(2-amino-1,3-thiazol-5-yl)methyl]morpholine-3-carboxamide
CID 83095925
4-[(5-aminothiadiazol-4-yl)methyl]morpholine-3-carboxamide
CID 83096189
4-(pyridin-4-ylmethyl)morpholine-3-carboxamide
CID 132970427
4-[[4-(aminomethyl)phenyl]methyl]morpholine-3-carboxamide
CID 83101444
[5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614764
4-[(6-chloropyridazin-3-yl)methyl]morpholine-3-carboxamide
CID 104513819
4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 83095890
4-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-3-carboxamide
CID 83096042
4-[(2-amino-4-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095376
5-[(3-carbamoylmorpholin-4-yl)methyl]furan-2-carboxylic acid
CID 83095889

Frequently Asked Questions

What is the IUPAC name of 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide (CID 83095661) is 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide is NNc1nnc(CN2CCOCC2C(N)=O)s1.
What is the InChIKey of 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide?
The InChIKey is GEEDUMHLSWZNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2S/c9-7(15)5-4-16-2-1-14(5)3-6-12-13-8(11-10)17-6/h5H,1-4,10H2,(H2,9,15)(H,11,13).
What are the key properties of 4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide?
4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide has a molecular weight of 258.31 g/mol, XLogP of -1.49, 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]morpholine-3-carboxamide is sourced from PubChem (CID 83095661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).