ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate

C8H12N4O3S — CID 86635202

IUPACethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)NN)nc1C
InChIInChI=1S/C8H12N4O3S/c1-3-15-6(13)5-4(2)10-8(16-5)11-7(14)12-9/h3,9H2,1-2H3,(H2,10,11,12,14)
InChIKeyVULUZIDIGIKRKT-UHFFFAOYSA-N
MW244.28 g/mol
LogP0.62
Rot. Bonds3

About ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 86635202) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID86635202
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Nameethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)NN)nc1C
InChIInChI=1S/C8H12N4O3S/c1-3-15-6(13)5-4(2)10-8(16-5)11-7(14)12-9/h3,9H2,1-2H3,(H2,10,11,12,14)
InChIKeyVULUZIDIGIKRKT-UHFFFAOYSA-N
XLogP0.62
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Related Compounds

ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
ethyl 2-[(3-amino-2-methylpropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 168974660
ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
CID 2989996
ethyl 2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 868821
ethyl 2-(heptanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 4072445
ethyl 2-[(4-iodobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266801
ethyl 2-[(4-ethylsulfanylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 7579199
ethyl 4-methyl-2-(phenylmethoxycarbonylamino)-1,3-thiazole-5-carboxylate
CID 53419430
ethyl 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1244006
ethyl 2-anilino-4-methyl-1,3-thiazole-5-carboxylate
CID 807772
ethyl 4-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]-1,3-thiazole-5-carboxylate
CID 16879786

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 86635202) is ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)NN)nc1C.
What is the InChIKey of ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is VULUZIDIGIKRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c1-3-15-6(13)5-4(2)10-8(16-5)11-7(14)12-9/h3,9H2,1-2H3,(H2,10,11,12,14).
What are the key properties of ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 244.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 86635202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).