ethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate

C11H15N3O4S — CID 135371663

IUPACethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate
SMILESCCOCOC(=O)c1snc(C(=O)NC2CC2)c1N
InChIInChI=1S/C11H15N3O4S/c1-2-17-5-18-11(16)9-7(12)8(14-19-9)10(15)13-6-3-4-6/h6H,2-5,12H2,1H3,(H,13,15)
InChIKeyOHWUPHPMSPGTJL-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.77
Rot. Bonds6

About ethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate

ethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate (PubChem CID 135371663) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is ethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate
PubChem CID135371663
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Nameethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate
SMILESCCOCOC(=O)c1snc(C(=O)NC2CC2)c1N
InChIInChI=1S/C11H15N3O4S/c1-2-17-5-18-11(16)9-7(12)8(14-19-9)10(15)13-6-3-4-6/h6H,2-5,12H2,1H3,(H,13,15)
InChIKeyOHWUPHPMSPGTJL-UHFFFAOYSA-N
XLogP0.77
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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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
4-Amino-3-cyclohexylcarbamoyl-isothiazole-5-carboxylic acid tert-butylcarbamoyl-methyl ester
CID 646580
Ethyl 4-amino-3-(4-morpholinylcarbonyl)-5-isothiazolecarboxylate
CID 7241275
Methyl 4-amino-3-(methylcarbamoyl)-1,2-thiazole-5-carboxylate
CID 50743440
4-Amino-3-[(cyclopropylmethyl)carbamoyl]-1,2-thiazole-5-carboxylic acid
CID 50743432
4-Amino-3-[(cyclopropylamino)carbonyl]-5-isothiazolecarboxylic acid
CID 56766703
Ethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate
CID 135371235
4-Amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 860195
[1-(Cyclohexylamino)-1-oxopropan-2-yl] 4-amino-3-carbamoyl-1,2-thiazole-5-carboxylate
CID 5226596

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate?
The IUPAC name of ethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate (CID 135371663) is ethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate.
What is the SMILES notation for ethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate?
The canonical SMILES for ethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate is CCOCOC(=O)c1snc(C(=O)NC2CC2)c1N.
What is the InChIKey of ethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate?
The InChIKey is OHWUPHPMSPGTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-2-17-5-18-11(16)9-7(12)8(14-19-9)10(15)13-6-3-4-6/h6H,2-5,12H2,1H3,(H,13,15).
What are the key properties of ethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate?
ethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate has a molecular weight of 285.32 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl 4-amino-3-(cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 135371663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).