ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate

C15H17FN2O2S — CID 103425003

IUPACethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NCCc2ccc(F)cc2)cc1N
InChIInChI=1S/C15H17FN2O2S/c1-2-20-15(19)14-12(17)9-13(21-14)18-8-7-10-3-5-11(16)6-4-10/h3-6,9,18H,2,7-8,17H2,1H3
InChIKeyMHWYVDYVCDZCKS-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.30
Rot. Bonds6

About ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate

ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate (PubChem CID 103425003) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate
PubChem CID103425003
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Nameethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NCCc2ccc(F)cc2)cc1N
InChIInChI=1S/C15H17FN2O2S/c1-2-20-15(19)14-12(17)9-13(21-14)18-8-7-10-3-5-11(16)6-4-10/h3-6,9,18H,2,7-8,17H2,1H3
InChIKeyMHWYVDYVCDZCKS-UHFFFAOYSA-N
XLogP3.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-5-(propylamino)thiophene-2-carboxylate
CID 103423163
ethyl 3-amino-5-[3-(diethylamino)propylamino]thiophene-2-carboxylate
CID 103425959
methyl 3-amino-5-[2-(2-fluorophenyl)ethylamino]thiophene-2-carboxylate
CID 103425708
ethyl 3-amino-5-(3,5-difluorophenyl)thiophene-2-carboxylate
CID 43155562
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
methyl 3-amino-5-[(4-methylphenyl)methylamino]thiophene-2-carboxylate
CID 103426331
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
ethyl 6-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxylate
CID 30059064
methyl 3-amino-5-(hexylamino)thiophene-2-carboxylate
CID 103420123
ethyl 5-carbamoyl-2-[[2-[2-(4-fluorophenyl)ethylamino]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 4844262
1-[3-amino-5-[2-(2-methoxyphenyl)ethylamino]thiophen-2-yl]propan-1-one
CID 106262781

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate (CID 103425003) is ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate is CCOC(=O)c1sc(NCCc2ccc(F)cc2)cc1N.
What is the InChIKey of ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate?
The InChIKey is MHWYVDYVCDZCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-2-20-15(19)14-12(17)9-13(21-14)18-8-7-10-3-5-11(16)6-4-10/h3-6,9,18H,2,7-8,17H2,1H3.
What are the key properties of ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate?
ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-[2-(4-fluorophenyl)ethylamino]thiophene-2-carboxylate is sourced from PubChem (CID 103425003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).