ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate

C12H14N4O3S — CID 106216641

IUPACethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)NC(C)c2cn[nH]c2)cs1
InChIInChI=1S/C12H14N4O3S/c1-3-19-12(18)11-16-9(6-20-11)10(17)15-7(2)8-4-13-14-5-8/h4-7H,3H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyLGRILSGKAAFYAF-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.53
Rot. Bonds5

About ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate

ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate (PubChem CID 106216641) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
PubChem CID106216641
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Nameethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)NC(C)c2cn[nH]c2)cs1
InChIInChI=1S/C12H14N4O3S/c1-3-19-12(18)11-16-9(6-20-11)10(17)15-7(2)8-4-13-14-5-8/h4-7H,3H2,1-2H3,(H,13,14)(H,15,17)
InChIKeyLGRILSGKAAFYAF-UHFFFAOYSA-N
XLogP1.53
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106283542
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 106212855
2-(1-aminoethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 114158941
ethyl 4-(pent-1-yn-3-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 106232865
ethyl 4-(4-methylsulfinylbutan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116698275
ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116698071
ethyl 4-[1-(1H-imidazol-2-yl)propylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116698286
ethyl 4-[(1-methylcyclopropyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698267
2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-1,3-thiazole-2,4-dicarboxamide
CID 53158357
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
2-N-ethyl-4-N-[(1R)-1-phenylethyl]-1,3-thiazole-2,4-dicarboxamide
CID 95099186
ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698056

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate (CID 106216641) is ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)NC(C)c2cn[nH]c2)cs1.
What is the InChIKey of ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is LGRILSGKAAFYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-3-19-12(18)11-16-9(6-20-11)10(17)15-7(2)8-4-13-14-5-8/h4-7H,3H2,1-2H3,(H,13,14)(H,15,17).
What are the key properties of ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 294.34 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 106216641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).