[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate

C16H14N4O3S — CID 652422

IUPAC[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate
SMILESCn1nccc1C(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H14N4O3S/c1-20-13(7-8-17-20)15(22)23-9-14(21)19-16-18-12(10-24-16)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,18,19,21)
InChIKeyQELKSVUXGPTZGH-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.34
Rot. Bonds5

About [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate

[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate (PubChem CID 652422) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate
PubChem CID652422
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate
SMILESCn1nccc1C(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H14N4O3S/c1-20-13(7-8-17-20)15(22)23-9-14(21)19-16-18-12(10-24-16)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,18,19,21)
InChIKeyQELKSVUXGPTZGH-UHFFFAOYSA-N
XLogP2.34
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate?
The IUPAC name of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate (CID 652422) is [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate?
The canonical SMILES for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate is Cn1nccc1C(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate?
The InChIKey is QELKSVUXGPTZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3S/c1-20-13(7-8-17-20)15(22)23-9-14(21)19-16-18-12(10-24-16)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,18,19,21).
What are the key properties of [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate?
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate has a molecular weight of 342.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-methylpyrazole-3-carboxylate is sourced from PubChem (CID 652422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).