ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate

C13H20N2O4S — CID 116698071

IUPACethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
SMILESCCCC(COC)NC(=O)c1csc(C(=O)OCC)n1
InChIInChI=1S/C13H20N2O4S/c1-4-6-9(7-18-3)14-11(16)10-8-20-12(15-10)13(17)19-5-2/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyOUOWWDIVWYKLPY-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.86
Rot. Bonds8

About ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate

ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate (PubChem CID 116698071) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
PubChem CID116698071
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nameethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
SMILESCCCC(COC)NC(=O)c1csc(C(=O)OCC)n1
InChIInChI=1S/C13H20N2O4S/c1-4-6-9(7-18-3)14-11(16)10-8-20-12(15-10)13(17)19-5-2/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyOUOWWDIVWYKLPY-UHFFFAOYSA-N
XLogP1.86
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(4-methylsulfinylbutan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116698275
ethyl 4-(pent-1-yn-3-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 106232865
2-(1-methoxybutan-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697189
ethyl 4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116697982
ethyl 4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106216641
ethyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 106283542
ethyl 4-[1-(1H-imidazol-2-yl)propylcarbamoyl]-1,3-thiazole-2-carboxylate
CID 116698286
(3S)-3-[(2-methyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 97328202
ethyl 4-[(1-methylcyclopropyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116698267
ethyl 4-(3-methylbut-2-enylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 106197397
ethyl 4-(cyclopent-3-en-1-ylcarbamoyl)-1,3-thiazole-2-carboxylate
CID 116698257
ethyl 4-[(2,6-dimethylphenyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697663

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate (CID 116698071) is ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate is CCCC(COC)NC(=O)c1csc(C(=O)OCC)n1.
What is the InChIKey of ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate?
The InChIKey is OUOWWDIVWYKLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-4-6-9(7-18-3)14-11(16)10-8-20-12(15-10)13(17)19-5-2/h8-9H,4-7H2,1-3H3,(H,14,16).
What are the key properties of ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate?
ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-methoxypentan-2-ylcarbamoyl)-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 116698071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).