ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate

C12H20N2O2S — CID 103421088

IUPACethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate
SMILESCCCN(CC)c1cc(N)c(C(=O)OCC)s1
InChIInChI=1S/C12H20N2O2S/c1-4-7-14(5-2)10-8-9(13)11(17-10)12(15)16-6-3/h8H,4-7,13H2,1-3H3
InChIKeyIJNNHPUHABXGRD-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.74
Rot. Bonds6

About ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate

ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate (PubChem CID 103421088) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate
PubChem CID103421088
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Nameethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate
SMILESCCCN(CC)c1cc(N)c(C(=O)OCC)s1
InChIInChI=1S/C12H20N2O2S/c1-4-7-14(5-2)10-8-9(13)11(17-10)12(15)16-6-3/h8H,4-7,13H2,1-3H3
InChIKeyIJNNHPUHABXGRD-UHFFFAOYSA-N
XLogP2.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one
CID 103419253
ethyl 3-amino-4-carbamoyl-5-[ethyl(propyl)amino]thiophene-2-carboxylate
CID 103421055
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
ethyl 3-amino-5-ethylsulfanylthiophene-2-carboxylate
CID 103417485
ethane;ethyl 3-amino-5-tert-butylthiophene-2-carboxylate
CID 144715507
ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate
CID 103425959
ethyl 5-acetyl-4-amino-2-[ethyl(propyl)amino]thiophene-3-carboxylate
CID 103421006
3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422442
ethyl 2-amino-4-[butyl(ethyl)amino]-1,3-thiazole-5-carboxylate
CID 28815592
ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate
CID 43155562
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
ethyl 3-amino-5-(4-methylthiophen-3-yl)thiophene-2-carboxylate
CID 79807771

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate (CID 103421088) is ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate is CCCN(CC)c1cc(N)c(C(=O)OCC)s1.
What is the InChIKey of ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate?
The InChIKey is IJNNHPUHABXGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-7-14(5-2)10-8-9(13)11(17-10)12(15)16-6-3/h8H,4-7,13H2,1-3H3.
What are the key properties of ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate?
ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate has a molecular weight of 256.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 103421088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).