2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile

C13H10FN3OS — CID 2986143

IUPAC2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile
SMILESCNc1c(C(=O)c2ccc(F)cc2)sc(N)c1C#N
InChIInChI=1S/C13H10FN3OS/c1-17-10-9(6-15)13(16)19-12(10)11(18)7-2-4-8(14)5-3-7/h2-5,17H,16H2,1H3
InChIKeyODWWURLUWLWHBX-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.61
Rot. Bonds3

About 2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile

2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile (PubChem CID 2986143) has the molecular formula C13H10FN3OS and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile
PubChem CID2986143
Molecular FormulaC13H10FN3OS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC Name2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile
SMILESCNc1c(C(=O)c2ccc(F)cc2)sc(N)c1C#N
InChIInChI=1S/C13H10FN3OS/c1-17-10-9(6-15)13(16)19-12(10)11(18)7-2-4-8(14)5-3-7/h2-5,17H,16H2,1H3
InChIKeyODWWURLUWLWHBX-UHFFFAOYSA-N
XLogP2.61
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile (CID 2986143) is 2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile is CNc1c(C(=O)c2ccc(F)cc2)sc(N)c1C#N.
What is the InChIKey of 2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile?
The InChIKey is ODWWURLUWLWHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS/c1-17-10-9(6-15)13(16)19-12(10)11(18)7-2-4-8(14)5-3-7/h2-5,17H,16H2,1H3.
What are the key properties of 2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile?
2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile has a molecular weight of 275.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluorobenzoyl)-4-(methylamino)thiophene-3-carbonitrile is sourced from PubChem (CID 2986143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).