ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate

C13H21N3O4S — CID 116697982

IUPACethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)NCCN(C)CCOC)cs1
InChIInChI=1S/C13H21N3O4S/c1-4-20-13(18)12-15-10(9-21-12)11(17)14-5-6-16(2)7-8-19-3/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyVDLOIAWGZHHMEX-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.63
Rot. Bonds9

About ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate

ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate (PubChem CID 116697982) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
PubChem CID116697982
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Nameethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)NCCN(C)CCOC)cs1
InChIInChI=1S/C13H21N3O4S/c1-4-20-13(18)12-15-10(9-21-12)11(17)14-5-6-16(2)7-8-19-3/h9H,4-8H2,1-3H3,(H,14,17)
InChIKeyVDLOIAWGZHHMEX-UHFFFAOYSA-N
XLogP0.63
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[2-(diethylamino)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697620
2-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 62845386
ethyl 4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697992
ethyl 4-[3-(diethylamino)propylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697639
ethyl 4-[2-(ethylsulfamoyl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106341808
ethyl 2-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 67269937
ethyl 4-(3-methylbut-2-enylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 106197397
ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116698071
ethyl 4-(2-piperazin-1-ylethylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116697783
ethyl 4-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106106171
ethyl 4-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697864
ethyl 4-(cyclopent-3-en-1-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116698257

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate (CID 116697982) is ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)NCCN(C)CCOC)cs1.
What is the InChIKey of ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is VDLOIAWGZHHMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-4-20-13(18)12-15-10(9-21-12)11(17)14-5-6-16(2)7-8-19-3/h9H,4-8H2,1-3H3,(H,14,17).
What are the key properties of ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 315.40 g/mol, XLogP of 0.63, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 116697982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).