4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide

C13H13FN2OS — CID 61090764

IUPAC4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCc2ccc(F)cc2)cc1N
InChIInChI=1S/C13H13FN2OS/c1-8-11(15)6-12(18-8)13(17)16-7-9-2-4-10(14)5-3-9/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeySJAURJYZJORKSO-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.71
Rot. Bonds3

About 4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide

4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 61090764) has the molecular formula C13H13FN2OS and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID61090764
Molecular FormulaC13H13FN2OS
Molecular Weight264.33 g/mol
Exact Mass264.07
IUPAC Name4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCc2ccc(F)cc2)cc1N
InChIInChI=1S/C13H13FN2OS/c1-8-11(15)6-12(18-8)13(17)16-7-9-2-4-10(14)5-3-9/h2-6H,7,15H2,1H3,(H,16,17)
InChIKeySJAURJYZJORKSO-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide (CID 61090764) is 4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NCc2ccc(F)cc2)cc1N.
What is the InChIKey of 4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is SJAURJYZJORKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2OS/c1-8-11(15)6-12(18-8)13(17)16-7-9-2-4-10(14)5-3-9/h2-6H,7,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide?
4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 61090764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).