methyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate

C12H12N4O2S — CID 42420688

IUPACmethyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N/N=C\c2ccccn2)nc1C
InChIInChI=1S/C12H12N4O2S/c1-8-10(11(17)18-2)19-12(15-8)16-14-7-9-5-3-4-6-13-9/h3-7H,1-2H3,(H,15,16)/b14-7-
InChIKeyQNDINNQUQYPMKT-AUWJEWJLSA-N
MW276.32 g/mol
LogP2.08
Rot. Bonds4

About methyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate

methyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate (PubChem CID 42420688) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
PubChem CID42420688
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Namemethyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N/N=C\c2ccccn2)nc1C
InChIInChI=1S/C12H12N4O2S/c1-8-10(11(17)18-2)19-12(15-8)16-14-7-9-5-3-4-6-13-9/h3-7H,1-2H3,(H,15,16)/b14-7-
InChIKeyQNDINNQUQYPMKT-AUWJEWJLSA-N
XLogP2.08
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

methyl 2-[(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 136926687
methyl 2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110536252
methyl 4-methyl-2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 136822183
methyl 2-[(2E)-2-[[4-(furan-2-carbonyloxy)phenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110341125
methyl 2-[(2E)-2-[[4-(4-fluorobenzoyl)oxyphenyl]methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 110341087
ethyl 2-[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 40548236
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092
ethyl 4-methyl-2-[(2Z)-2-[(3-propoxyphenyl)methylidene]hydrazinyl]-1,3-thiazole-5-carboxylate
CID 27275305
ethyl 2-[(2Z)-2-[(4-ethoxycarbonylphenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 124748851
methyl 4-methyl-2-[[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]amino]-1,3-thiazole-5-carboxylate
CID 75465416
2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8878410
methyl 2-[(2Z)-2-[(3,4-diethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1,3-thiazole-5-carboxylate
CID 110531033

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate (CID 42420688) is methyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N/N=C\c2ccccn2)nc1C.
What is the InChIKey of methyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate?
The InChIKey is QNDINNQUQYPMKT-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-8-10(11(17)18-2)19-12(15-8)16-14-7-9-5-3-4-6-13-9/h3-7H,1-2H3,(H,15,16)/b14-7-.
What are the key properties of methyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate?
methyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate has a molecular weight of 276.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2Z)-2-(pyridin-2-ylmethylidene)hydrazinyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 42420688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).