1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea

C17H16FN5O2S — CID 25051526

IUPAC1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea
SMILESCc1nccnc1OCc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C17H16FN5O2S/c1-11-15(20-6-5-19-11)25-9-14-10-26-17(22-14)23-16(24)21-8-12-3-2-4-13(18)7-12/h2-7,10H,8-9H2,1H3,(H2,21,22,23,24)
InChIKeyZLOKPPIFISREBQ-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.28
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea

1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea (PubChem CID 25051526) has the molecular formula C17H16FN5O2S and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea
PubChem CID25051526
Molecular FormulaC17H16FN5O2S
Molecular Weight373.41 g/mol
Exact Mass373.10
IUPAC Name1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea
SMILESCc1nccnc1OCc1csc(NC(=O)NCc2cccc(F)c2)n1
InChIInChI=1S/C17H16FN5O2S/c1-11-15(20-6-5-19-11)25-9-14-10-26-17(22-14)23-16(24)21-8-12-3-2-4-13(18)7-12/h2-7,10H,8-9H2,1H3,(H2,21,22,23,24)
InChIKeyZLOKPPIFISREBQ-UHFFFAOYSA-N
XLogP3.28
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(Methoxymethyl)-1,3-thiazol-2-yl]-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 71870210
1-(4-Tert-butyl-1,3-thiazol-2-yl)-3-[4-fluoro-3-(pyrazin-2-yloxymethyl)phenyl]urea
CID 10250460
1-[(3-Fluorophenyl)methyl]-3-[4-[(5-methoxypyrazin-2-yl)sulfonylmethyl]-1,3-thiazol-2-yl]urea
CID 25207113
1-[4-Fluoro-3-(pyrazin-2-yloxymethyl)phenyl]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 58615019
Methyl 3-((2-(3-(3-fluorobenzyl)ureido)thiazol-4-yl)methoxy)pyrazine-2-carboxylate
CID 86622754
1-(4-Tert-butyl-1,3-thiazol-2-yl)-3-[4-fluoro-3-(2-pyrazin-2-yloxyethyl)phenyl]urea
CID 87956673
1-(4-Tert-butyl-1,3-thiazol-2-yl)-3-[4-fluoro-3-(1-pyrazin-2-yloxyethyl)phenyl]urea
CID 87956674
1-[2-(4-Fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 88996673
1-[2-(3-Fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 88996799
1-[2-(2-Fluorophenoxy)ethyl]-3-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)urea
CID 88996812
[2-[(3-Fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]-(5-methoxypyrazin-2-yl)methanesulfinate
CID 91805136
6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide
CID 121257516

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea (CID 25051526) is 1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea is Cc1nccnc1OCc1csc(NC(=O)NCc2cccc(F)c2)n1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea?
The InChIKey is ZLOKPPIFISREBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2S/c1-11-15(20-6-5-19-11)25-9-14-10-26-17(22-14)23-16(24)21-8-12-3-2-4-13(18)7-12/h2-7,10H,8-9H2,1H3,(H2,21,22,23,24).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea?
1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea has a molecular weight of 373.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-[4-[(3-methylpyrazin-2-yl)oxymethyl]-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 25051526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).