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

C8H10N4OS2 — CID 79764145

IUPAC3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1Cc1cnc(NN)s1
InChIInChI=1S/C8H10N4OS2/c1-5-4-14-8(13)12(5)3-6-2-10-7(11-9)15-6/h2,4H,3,9H2,1H3,(H,10,11)
InChIKeyQOIISEXVCQFBPC-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.01
Rot. Bonds3

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

3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 79764145) has the molecular formula C8H10N4OS2 and a molecular weight of 242.33 g/mol. Its IUPAC name is 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one
PubChem CID79764145
Molecular FormulaC8H10N4OS2
Molecular Weight242.33 g/mol
Exact Mass242.03
IUPAC Name3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1Cc1cnc(NN)s1
InChIInChI=1S/C8H10N4OS2/c1-5-4-14-8(13)12(5)3-6-2-10-7(11-9)15-6/h2,4H,3,9H2,1H3,(H,10,11)
InChIKeyQOIISEXVCQFBPC-UHFFFAOYSA-N
XLogP1.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.01
H-Bond Donors ≤ 52
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 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one (CID 79764145) is 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1Cc1cnc(NN)s1.
What is the InChIKey of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is QOIISEXVCQFBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS2/c1-5-4-14-8(13)12(5)3-6-2-10-7(11-9)15-6/h2,4H,3,9H2,1H3,(H,10,11).
What are the key properties of 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one?
3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 242.33 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 79764145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).