[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone

C16H17FN2OS — CID 103418144

IUPAC[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone
SMILESCN(Cc1ccc(F)cc1)c1cc(N)c(C(=O)C2CC2)s1
InChIInChI=1S/C16H17FN2OS/c1-19(9-10-2-6-12(17)7-3-10)14-8-13(18)16(21-14)15(20)11-4-5-11/h2-3,6-8,11H,4-5,9,18H2,1H3
InChIKeyHPQMNDMYFYUUBT-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.70
Rot. Bonds5

About [3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone

[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone (PubChem CID 103418144) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is [3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone
PubChem CID103418144
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone
SMILESCN(Cc1ccc(F)cc1)c1cc(N)c(C(=O)C2CC2)s1
InChIInChI=1S/C16H17FN2OS/c1-19(9-10-2-6-12(17)7-3-10)14-8-13(18)16(21-14)15(20)11-4-5-11/h2-3,6-8,11H,4-5,9,18H2,1H3
InChIKeyHPQMNDMYFYUUBT-UHFFFAOYSA-N
XLogP3.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone (CID 103418144) is [3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone is CN(Cc1ccc(F)cc1)c1cc(N)c(C(=O)C2CC2)s1.
What is the InChIKey of [3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is HPQMNDMYFYUUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-19(9-10-2-6-12(17)7-3-10)14-8-13(18)16(21-14)15(20)11-4-5-11/h2-3,6-8,11H,4-5,9,18H2,1H3.
What are the key properties of [3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone?
[3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 304.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-[(4-fluorophenyl)methyl-methylamino]thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 103418144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).