ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate

C12H14N4O3S — CID 116698056

IUPACethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N(C)Cc2cn[nH]c2)cs1
InChIInChI=1S/C12H14N4O3S/c1-3-19-12(18)10-15-9(7-20-10)11(17)16(2)6-8-4-13-14-5-8/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyPEEZLTLUIFEGCS-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.32
Rot. Bonds5

About ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate

ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate (PubChem CID 116698056) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate
PubChem CID116698056
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Nameethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N(C)Cc2cn[nH]c2)cs1
InChIInChI=1S/C12H14N4O3S/c1-3-19-12(18)10-15-9(7-20-10)11(17)16(2)6-8-4-13-14-5-8/h4-5,7H,3,6H2,1-2H3,(H,13,14)
InChIKeyPEEZLTLUIFEGCS-UHFFFAOYSA-N
XLogP1.32
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697872
ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697864
ethyl 4-[1-hydroxypropan-2-yl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698241
ethyl 4-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697900
2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 102737443
ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106216641
ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698032
N,2,4-trimethyl-N-(1H-pyrazol-4-ylmethyl)-1,3-oxazole-5-carboxamide
CID 79209196
ethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 106936633
N,5-dimethyl-1-pentan-3-yl-N-(1H-pyrazol-4-ylmethyl)pyrazole-3-carboxamide
CID 138999626
ethyl 4-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 107737504
ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 107400437

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate (CID 116698056) is ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)N(C)Cc2cn[nH]c2)cs1.
What is the InChIKey of ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is PEEZLTLUIFEGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-3-19-12(18)10-15-9(7-20-10)11(17)16(2)6-8-4-13-14-5-8/h4-5,7H,3,6H2,1-2H3,(H,13,14).
What are the key properties of ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 294.34 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 116698056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).