ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate

C12H18N2O3S — CID 82056859

IUPACethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate
SMILESCCOC(=O)Cc1csc(N)c1C(=O)NC(C)C
InChIInChI=1S/C12H18N2O3S/c1-4-17-9(15)5-8-6-18-11(13)10(8)12(16)14-7(2)3/h6-7H,4-5,13H2,1-3H3,(H,14,16)
InChIKeyGWLRJZHFNCXPLM-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.57
Rot. Bonds5

About ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate

ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate (PubChem CID 82056859) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate
PubChem CID82056859
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nameethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate
SMILESCCOC(=O)Cc1csc(N)c1C(=O)NC(C)C
InChIInChI=1S/C12H18N2O3S/c1-4-17-9(15)5-8-6-18-11(13)10(8)12(16)14-7(2)3/h6-7H,4-5,13H2,1-3H3,(H,14,16)
InChIKeyGWLRJZHFNCXPLM-UHFFFAOYSA-N
XLogP1.57
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(2-ethoxy-2-oxoethyl)thiophene-3-carboxylic acid
CID 70297607
ethyl 2-[5-amino-4-(diethylcarbamoyl)thiophen-3-yl]acetate
CID 82056861
ethyl 2-amino-4-(methylperoxymethyl)thiophene-3-carboxylate
CID 89176401
methyl 2-amino-4-propylthiophene-3-carboxylate
CID 10559922
methyl 2-amino-4-(methoxymethyl)thiophene-3-carboxylate
CID 15889788
ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate;hydrochloride
CID 163326154
ethyl 2-[2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574664
2-amino-4-(3,4-dimethoxyphenyl)-N-propan-2-ylthiophene-3-carboxamide
CID 71009749
ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
2-amino-5-ethyl-4-(4-methylphenyl)-N-propan-2-ylthiophene-3-carboxamide
CID 82056734
ethyl 2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 129010827
2-(propan-2-ylcarbamoylamino)-4-propylthiophene-3-carboxylic acid
CID 69438852

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate?
The IUPAC name of ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate (CID 82056859) is ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate?
The canonical SMILES for ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate is CCOC(=O)Cc1csc(N)c1C(=O)NC(C)C.
What is the InChIKey of ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate?
The InChIKey is GWLRJZHFNCXPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-4-17-9(15)5-8-6-18-11(13)10(8)12(16)14-7(2)3/h6-7H,4-5,13H2,1-3H3,(H,14,16).
What are the key properties of ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate?
ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate has a molecular weight of 270.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-amino-4-(propan-2-ylcarbamoyl)thiophen-3-yl]acetate is sourced from PubChem (CID 82056859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).