1-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone

C13H14N4OS — CID 73352518

IUPAC1-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N/N=C(\C)c2ccccn2)nc1C
InChIInChI=1S/C13H14N4OS/c1-8(11-6-4-5-7-14-11)16-17-13-15-9(2)12(19-13)10(3)18/h4-7H,1-3H3,(H,15,17)/b16-8+
InChIKeyDYBJAZJOMGWGMU-LZYBPNLTSA-N
MW274.35 g/mol
LogP2.89
Rot. Bonds4

About 1-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 73352518) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone
PubChem CID73352518
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC Name1-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N/N=C(\C)c2ccccn2)nc1C
InChIInChI=1S/C13H14N4OS/c1-8(11-6-4-5-7-14-11)16-17-13-15-9(2)12(19-13)10(3)18/h4-7H,1-3H3,(H,15,17)/b16-8+
InChIKeyDYBJAZJOMGWGMU-LZYBPNLTSA-N
XLogP2.89
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone (CID 73352518) is 1-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N/N=C(\C)c2ccccn2)nc1C.
What is the InChIKey of 1-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is DYBJAZJOMGWGMU-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-8(11-6-4-5-7-14-11)16-17-13-15-9(2)12(19-13)10(3)18/h4-7H,1-3H3,(H,15,17)/b16-8+.
What are the key properties of 1-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 274.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 73352518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).