[2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate

C17H26N4O4S — CID 646580

IUPAC[2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
SMILESCC(C)(C)NC(=O)COC(=O)c1snc(C(=O)NC2CCCCC2)c1N
InChIInChI=1S/C17H26N4O4S/c1-17(2,3)20-11(22)9-25-16(24)14-12(18)13(21-26-14)15(23)19-10-7-5-4-6-8-10/h10H,4-9,18H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyFEQNTUXIYYKDDE-UHFFFAOYSA-N
MW382.49 g/mol
LogP1.86
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate

[2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate (PubChem CID 646580) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
PubChem CID646580
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
SMILESCC(C)(C)NC(=O)COC(=O)c1snc(C(=O)NC2CCCCC2)c1N
InChIInChI=1S/C17H26N4O4S/c1-17(2,3)20-11(22)9-25-16(24)14-12(18)13(21-26-14)15(23)19-10-7-5-4-6-8-10/h10H,4-9,18H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyFEQNTUXIYYKDDE-UHFFFAOYSA-N
XLogP1.86
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate with MolForge

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Related Compounds

4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid ethyl ester
CID 645199
4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid cyclohexylcarbamoylmethyl ester
CID 651494
4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid 1-tert-butylcarbamoyl-ethyl ester
CID 3219020
4-Amino-3-[(cyclohexylamino)-oxomethyl]-5-isothiazolecarboxylic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester
CID 3219071
Ethyl 4-amino-3-(4-morpholinylcarbonyl)-5-isothiazolecarboxylate
CID 7241275
Ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate
CID 135371235
Ethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate
CID 135371663
[1-(Cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
CID 5226596
[2-(Cyclohexylamino)-2-oxoethyl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
CID 6487939
4-Amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
CID 7116668
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
CID 7404081
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate
CID 7404082

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate (CID 646580) is [2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate is CC(C)(C)NC(=O)COC(=O)c1snc(C(=O)NC2CCCCC2)c1N.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
The InChIKey is FEQNTUXIYYKDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-17(2,3)20-11(22)9-25-16(24)14-12(18)13(21-26-14)15(23)19-10-7-5-4-6-8-10/h10H,4-9,18H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate?
[2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate has a molecular weight of 382.49 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 646580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).