1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol

C8H14N4O2S — CID 106673960

IUPAC1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol
SMILESNNc1ncc(CN2CC(O)C(O)C2)s1
InChIInChI=1S/C8H14N4O2S/c9-11-8-10-1-5(15-8)2-12-3-6(13)7(14)4-12/h1,6-7,13-14H,2-4,9H2,(H,10,11)
InChIKeyHCZNKCNRRVRFKZ-UHFFFAOYSA-N
MW230.29 g/mol
LogP-1.03
Rot. Bonds3

About 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol

1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol (PubChem CID 106673960) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol
PubChem CID106673960
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol
SMILESNNc1ncc(CN2CC(O)C(O)C2)s1
InChIInChI=1S/C8H14N4O2S/c9-11-8-10-1-5(15-8)2-12-3-6(13)7(14)4-12/h1,6-7,13-14H,2-4,9H2,(H,10,11)
InChIKeyHCZNKCNRRVRFKZ-UHFFFAOYSA-N
XLogP-1.03
TPSA94.64 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol (CID 106673960) is 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol is NNc1ncc(CN2CC(O)C(O)C2)s1.
What is the InChIKey of 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol?
The InChIKey is HCZNKCNRRVRFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c9-11-8-10-1-5(15-8)2-12-3-6(13)7(14)4-12/h1,6-7,13-14H,2-4,9H2,(H,10,11).
What are the key properties of 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol?
1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol has a molecular weight of 230.29 g/mol, XLogP of -1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106673960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).