ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate

C12H17N3O4S — CID 116697864

IUPACethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCNC(=O)CN(C)C(=O)c1csc(C(=O)OCC)n1
InChIInChI=1S/C12H17N3O4S/c1-4-13-9(16)6-15(3)11(17)8-7-20-10(14-8)12(18)19-5-2/h7H,4-6H2,1-3H3,(H,13,16)
InChIKeyYQNPLPZPAPRCOU-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.53
Rot. Bonds6

About ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate

ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate (PubChem CID 116697864) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate
PubChem CID116697864
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Nameethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCNC(=O)CN(C)C(=O)c1csc(C(=O)OCC)n1
InChIInChI=1S/C12H17N3O4S/c1-4-13-9(16)6-15(3)11(17)8-7-20-10(14-8)12(18)19-5-2/h7H,4-6H2,1-3H3,(H,13,16)
InChIKeyYQNPLPZPAPRCOU-UHFFFAOYSA-N
XLogP0.53
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.53
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-[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698056
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
ethyl 4-[2-ethoxyethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698032
ethyl 4-[2-(diethylamino)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697620
ethyl 4-[3-(diethylamino)propylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697639
ethyl 4-[ethyl(pyridin-4-yl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 106936633
ethyl 4-[(3-hydroxyphenyl)-methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 107737504
ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697982
ethyl 4-(3-methylbut-2-enylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 106197397
ethyl 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697992

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate (CID 116697864) is ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate is CCNC(=O)CN(C)C(=O)c1csc(C(=O)OCC)n1.
What is the InChIKey of ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is YQNPLPZPAPRCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-4-13-9(16)6-15(3)11(17)8-7-20-10(14-8)12(18)19-5-2/h7H,4-6H2,1-3H3,(H,13,16).
What are the key properties of ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 299.35 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 116697864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).