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

C12H13N3OS2 — CID 73347942

IUPAC1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N/N=C(\C)c2cccs2)nc1C
InChIInChI=1S/C12H13N3OS2/c1-7(10-5-4-6-17-10)14-15-12-13-8(2)11(18-12)9(3)16/h4-6H,1-3H3,(H,13,15)/b14-7+
InChIKeyDOTYTZRFOVMPLN-VGOFMYFVSA-N
MW279.39 g/mol
LogP3.55
Rot. Bonds4

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

1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 73347942) has the molecular formula C12H13N3OS2 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone
PubChem CID73347942
Molecular FormulaC12H13N3OS2
Molecular Weight279.39 g/mol
Exact Mass279.05
IUPAC Name1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N/N=C(\C)c2cccs2)nc1C
InChIInChI=1S/C12H13N3OS2/c1-7(10-5-4-6-17-10)14-15-12-13-8(2)11(18-12)9(3)16/h4-6H,1-3H3,(H,13,15)/b14-7+
InChIKeyDOTYTZRFOVMPLN-VGOFMYFVSA-N
XLogP3.55
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.55
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'}

Analyze 1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone with MolForge

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Related Compounds

oxalic acid;N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-amine
CID 24846810
ethyl 4-methyl-2-[2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 171131857
1-[2-(4-hydroxyanilino)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 169101363
ethyl 4-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]benzoate
CID 58003647
4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine
CID 31522342
2-ethyl-N-[(E)-1-thiophen-2-ylethylideneamino]aniline
CID 7340543
4-methoxy-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 6146501
methyl 4-methyl-2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1,3-thiazole-5-carboxylate
CID 108807732
ethyl 2-[(2E)-2-[1-(4-fluorophenyl)ethylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 73354002
2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 3463162
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052
4,6-dipyrrolidin-1-yl-N-[(E)-1-thiophen-2-ylethylideneamino]-1,3,5-triazin-2-amine
CID 6264891

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone (CID 73347942) is 1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N/N=C(\C)c2cccs2)nc1C.
What is the InChIKey of 1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is DOTYTZRFOVMPLN-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H13N3OS2/c1-7(10-5-4-6-17-10)14-15-12-13-8(2)11(18-12)9(3)16/h4-6H,1-3H3,(H,13,15)/b14-7+.
What are the key properties of 1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-[(2E)-2-(1-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 279.39 g/mol, XLogP of 3.55, 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-thiophen-2-ylethylidene)hydrazinyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 73347942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).