methyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate

C18H16FN5O4S — CID 86622754

IUPACmethyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1OCc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C18H16FN5O4S/c1-27-16(25)14-15(21-6-5-20-14)28-9-13-10-29-18(23-13)24-17(26)22-8-11-3-2-4-12(19)7-11/h2-7,10H,8-9H2,1H3,(H2,22,23,24,26)
InChIKeySWZPOKOMQKIYJB-UHFFFAOYSA-N
MW417.42 g/mol
LogP2.76
Rot. Bonds7

About methyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate

methyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate (PubChem CID 86622754) has the molecular formula C18H16FN5O4S and a molecular weight of 417.42 g/mol. Its IUPAC name is methyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate
PubChem CID86622754
Molecular FormulaC18H16FN5O4S
Molecular Weight417.42 g/mol
Exact Mass417.09
IUPAC Namemethyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1nccnc1OCc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C18H16FN5O4S/c1-27-16(25)14-15(21-6-5-20-14)28-9-13-10-29-18(23-13)24-17(26)22-8-11-3-2-4-12(19)7-11/h2-7,10H,8-9H2,1H3,(H2,22,23,24,26)
InChIKeySWZPOKOMQKIYJB-UHFFFAOYSA-N
XLogP2.76
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate?
The IUPAC name of methyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate (CID 86622754) is methyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate is COC(=O)c1nccnc1OCc1csc(NC(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of methyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate?
The InChIKey is SWZPOKOMQKIYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O4S/c1-27-16(25)14-15(21-6-5-20-14)28-9-13-10-29-18(23-13)24-17(26)22-8-11-3-2-4-12(19)7-11/h2-7,10H,8-9H2,1H3,(H2,22,23,24,26).
What are the key properties of methyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate?
methyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate has a molecular weight of 417.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methoxy]pyrazine-2-carboxylate is sourced from PubChem (CID 86622754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).