ethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide

C12H20N6O3S2 — CID 158312972

IUPACethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide
SMILESCCOC(=O)c1nc(C)cs1.Cc1csc(C(=O)NN)n1.NN
InChIInChI=1S/C7H9NO2S.C5H7N3OS.H4N2/c1-3-10-7(9)6-8-5(2)4-11-6;1-3-2-10-5(7-3)4(9)8-6;1-2/h4H,3H2,1-2H3;2H,6H2,1H3,(H,8,9);1-2H2
InChIKeyGNXBQIMZXBYFNU-UHFFFAOYSA-N
MW360.47 g/mol
LogP0.50
Rot. Bonds3

About ethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide

ethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide (PubChem CID 158312972) has the molecular formula C12H20N6O3S2 and a molecular weight of 360.47 g/mol. Its IUPAC name is ethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide.

Molecular Properties

Compound Nameethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide
PubChem CID158312972
Molecular FormulaC12H20N6O3S2
Molecular Weight360.47 g/mol
Exact Mass360.10
IUPAC Nameethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide
SMILESCCOC(=O)c1nc(C)cs1.Cc1csc(C(=O)NN)n1.NN
InChIInChI=1S/C7H9NO2S.C5H7N3OS.H4N2/c1-3-10-7(9)6-8-5(2)4-11-6;1-3-2-10-5(7-3)4(9)8-6;1-2/h4H,3H2,1-2H3;2H,6H2,1H3,(H,8,9);1-2H2
InChIKeyGNXBQIMZXBYFNU-UHFFFAOYSA-N
XLogP0.50
TPSA159.24 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 ethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide?
The IUPAC name of ethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide (CID 158312972) is ethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide.
What is the SMILES notation for ethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide?
The canonical SMILES for ethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide is CCOC(=O)c1nc(C)cs1.Cc1csc(C(=O)NN)n1.NN.
What is the InChIKey of ethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide?
The InChIKey is GNXBQIMZXBYFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.C5H7N3OS.H4N2/c1-3-10-7(9)6-8-5(2)4-11-6;1-3-2-10-5(7-3)4(9)8-6;1-2/h4H,3H2,1-2H3;2H,6H2,1H3,(H,8,9);1-2H2.
What are the key properties of ethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide?
ethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide has a molecular weight of 360.47 g/mol, XLogP of 0.50, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-1,3-thiazole-2-carboxylate;hydrazine;4-methyl-1,3-thiazole-2-carbohydrazide is sourced from PubChem (CID 158312972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).