ethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate

C12H13N3O3S2 — CID 62799998

IUPACethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H13N3O3S2/c1-2-18-11(17)8-3-4-19-10(8)15-9(16)5-7-6-20-12(13)14-7/h3-4,6H,2,5H2,1H3,(H2,13,14)(H,15,16)
InChIKeyXWJNFQPBXIRVPW-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.14
Rot. Bonds5

About ethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate

ethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 62799998) has the molecular formula C12H13N3O3S2 and a molecular weight of 311.39 g/mol. Its IUPAC name is ethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID62799998
Molecular FormulaC12H13N3O3S2
Molecular Weight311.39 g/mol
Exact Mass311.04
IUPAC Nameethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)Cc1csc(N)n1
InChIInChI=1S/C12H13N3O3S2/c1-2-18-11(17)8-3-4-19-10(8)15-9(16)5-7-6-20-12(13)14-7/h3-4,6H,2,5H2,1H3,(H2,13,14)(H,15,16)
InChIKeyXWJNFQPBXIRVPW-UHFFFAOYSA-N
XLogP2.14
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 7597005
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
ethyl 2-[[2-(propylamino)acetyl]amino]thiophene-3-carboxylate
CID 60703501
N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 71875396
2-(2-amino-1,3-thiazol-4-yl)-N-thiophen-3-ylacetamide
CID 66351961
ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 61118419
2-(2-amino-1,3-thiazol-4-yl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 62795726
ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
CID 79345757
ethyl 2-(7-aminoheptanoylamino)thiophene-3-carboxylate
CID 61259292
5-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401946
2-(2-amino-1,3-thiazol-4-yl)-N-(3-ethoxyphenyl)acetamide
CID 62800309

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate (CID 62799998) is ethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)Cc1csc(N)n1.
What is the InChIKey of ethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is XWJNFQPBXIRVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S2/c1-2-18-11(17)8-3-4-19-10(8)15-9(16)5-7-6-20-12(13)14-7/h3-4,6H,2,5H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of ethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
ethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 311.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 62799998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).