methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate

C8H12N2O2S — CID 103424518

IUPACmethyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
SMILESCCNc1cc(N)c(C(=O)OC)s1
InChIInChI=1S/C8H12N2O2S/c1-3-10-6-4-5(9)7(13-6)8(11)12-2/h4,10H,3,9H2,1-2H3
InChIKeyPVEXOOKLZDYRJS-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.55
Rot. Bonds3

About methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate

methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate (PubChem CID 103424518) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
PubChem CID103424518
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Namemethyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
SMILESCCNc1cc(N)c(C(=O)OC)s1
InChIInChI=1S/C8H12N2O2S/c1-3-10-6-4-5(9)7(13-6)8(11)12-2/h4,10H,3,9H2,1-2H3
InChIKeyPVEXOOKLZDYRJS-UHFFFAOYSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-5-(hexylamino)thiophene-2-carboxylate
CID 103420123
methyl 3-amino-5-[(4-methylphenyl)methylamino]thiophene-2-carboxylate
CID 103426331
ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
methyl 3-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]thiophene-2-carboxylate
CID 106045002
methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate
CID 103425708
methyl 3-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]thiophene-2-carboxylate
CID 106044826
methyl 3-amino-5-(methoxymethyl)thiophene-2-carboxylate
CID 45089587
1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423434
methyl 3-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]thiophene-2-carboxylate
CID 103509921
ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate
CID 103425959
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
1-[3-amino-5-(2-methylpropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103423875

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate (CID 103424518) is methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate is CCNc1cc(N)c(C(=O)OC)s1.
What is the InChIKey of methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate?
The InChIKey is PVEXOOKLZDYRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-3-10-6-4-5(9)7(13-6)8(11)12-2/h4,10H,3,9H2,1-2H3.
What are the key properties of methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate?
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate is sourced from PubChem (CID 103424518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).