1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea

C17H16N4O2S — CID 122162320

IUPAC1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C17H16N4O2S/c1-23-15-5-3-2-4-13(15)21-17(22)20-10-14-16(19-8-7-18-14)12-6-9-24-11-12/h2-9,11H,10H2,1H3,(H2,20,21,22)
InChIKeyAILXDUGMUAMMOC-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.54
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea

1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea (PubChem CID 122162320) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
PubChem CID122162320
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C17H16N4O2S/c1-23-15-5-3-2-4-13(15)21-17(22)20-10-14-16(19-8-7-18-14)12-6-9-24-11-12/h2-9,11H,10H2,1H3,(H2,20,21,22)
InChIKeyAILXDUGMUAMMOC-UHFFFAOYSA-N
XLogP3.54
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
CID 122163123
1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276965
1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea
CID 91625691
1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276968
1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276966
1-(4-butoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122162318
5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122276713
1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276944
1-cycloheptyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276998
2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246168
1-(1-adamantyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122246182
3,4,5-triethoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122276832

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea (CID 122162320) is 1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea is COc1ccccc1NC(=O)NCc1nccnc1-c1ccsc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
The InChIKey is AILXDUGMUAMMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-23-15-5-3-2-4-13(15)21-17(22)20-10-14-16(19-8-7-18-14)12-6-9-24-11-12/h2-9,11H,10H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea has a molecular weight of 340.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea is sourced from PubChem (CID 122162320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).