3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide

C16H12FN3OS — CID 175825964

IUPAC3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1Cc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H12FN3OS/c17-11-3-1-10(2-4-11)14-6-5-12(22-14)9-13-15(16(18)21)20-8-7-19-13/h1-8H,9H2,(H2,18,21)
InChIKeyMFOICGCMVJCRAS-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.03
Rot. Bonds4

About 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide

3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 175825964) has the molecular formula C16H12FN3OS and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
PubChem CID175825964
Molecular FormulaC16H12FN3OS
Molecular Weight313.36 g/mol
Exact Mass313.07
IUPAC Name3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1Cc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H12FN3OS/c17-11-3-1-10(2-4-11)14-6-5-12(22-14)9-13-15(16(18)21)20-8-7-19-13/h1-8H,9H2,(H2,18,21)
InChIKeyMFOICGCMVJCRAS-UHFFFAOYSA-N
XLogP3.03
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide (CID 175825964) is 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide is NC(=O)c1nccnc1Cc1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is MFOICGCMVJCRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3OS/c17-11-3-1-10(2-4-11)14-6-5-12(22-14)9-13-15(16(18)21)20-8-7-19-13/h1-8H,9H2,(H2,18,21).
What are the key properties of 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide?
3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 175825964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).