5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide

C18H17FN4O2S — CID 59730219

IUPAC5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(Oc2ccc(CNCCc3cccs3)cc2F)cn1
InChIInChI=1S/C18H17FN4O2S/c19-14-8-12(9-21-6-5-13-2-1-7-26-13)3-4-16(14)25-17-11-22-15(10-23-17)18(20)24/h1-4,7-8,10-11,21H,5-6,9H2,(H2,20,24)
InChIKeyOWMBNPAIQDFSPL-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.90
Rot. Bonds8

About 5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide

5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide (PubChem CID 59730219) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is 5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide
PubChem CID59730219
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide
SMILESNC(=O)c1cnc(Oc2ccc(CNCCc3cccs3)cc2F)cn1
InChIInChI=1S/C18H17FN4O2S/c19-14-8-12(9-21-6-5-13-2-1-7-26-13)3-4-16(14)25-17-11-22-15(10-23-17)18(20)24/h1-4,7-8,10-11,21H,5-6,9H2,(H2,20,24)
InChIKeyOWMBNPAIQDFSPL-UHFFFAOYSA-N
XLogP2.90
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-fluoro-4-[(hexylamino)methyl]phenoxy]pyrazine-2-carboxamide
CID 59730293
6-[2-chloro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide
CID 68746402
5-[2-methyl-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide
CID 59730314
5-[2-fluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenoxy]pyridine-2-carboxamide
CID 59730229
N-[[3-fluoro-4-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 107686825
4-[[5-[[(4-fluorophenyl)methylamino]methyl]-2-pyridinyl]oxy]benzamide;4-[[5-[(2-methylpropylamino)methyl]-2-pyridinyl]oxy]benzamide;4-[[5-[(2-thiophen-2-ylethylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 87559634
5-[2-fluoro-4-[(4-methylpentylamino)methyl]phenoxy]pyridine-2-carboxamide
CID 59730177
[[5-[2-methoxy-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyridine-2-carbonyl]amino]methanesulfonic acid
CID 90867510
ethane;4-[2-methyl-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]cyclohepta-1,3,5-triene-1-carboxamide
CID 142876469
N-[(3,5-difluorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 115767520
1-(3-fluoro-4-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 43242567
1-[(4-ethoxy-3-fluorophenyl)methyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 111833487

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide?
The IUPAC name of 5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide (CID 59730219) is 5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide is NC(=O)c1cnc(Oc2ccc(CNCCc3cccs3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide?
The InChIKey is OWMBNPAIQDFSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c19-14-8-12(9-21-6-5-13-2-1-7-26-13)3-4-16(14)25-17-11-22-15(10-23-17)18(20)24/h1-4,7-8,10-11,21H,5-6,9H2,(H2,20,24).
What are the key properties of 5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide?
5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[(2-thiophen-2-ylethylamino)methyl]phenoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 59730219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).