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

C17H16N4O2S — CID 122163123

IUPAC1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1nccnc1-c1cccs1
InChIInChI=1S/C17H16N4O2S/c1-23-14-6-3-2-5-12(14)21-17(22)20-11-13-16(19-9-8-18-13)15-7-4-10-24-15/h2-10H,11H2,1H3,(H2,20,21,22)
InChIKeyFZKAHTXEOOCYBW-UHFFFAOYSA-N
MW340.41 g/mol
LogP3.54
Rot. Bonds5

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

1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea (PubChem CID 122163123) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
PubChem CID122163123
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC Name1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1nccnc1-c1cccs1
InChIInChI=1S/C17H16N4O2S/c1-23-14-6-3-2-5-12(14)21-17(22)20-11-13-16(19-9-8-18-13)15-7-4-10-24-15/h2-10H,11H2,1H3,(H2,20,21,22)
InChIKeyFZKAHTXEOOCYBW-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-3-ylpyrazin-2-yl)methyl]urea
CID 122162320
1-(2-methoxyphenyl)-3-[(5-thiophen-2-yl-3-pyridinyl)methyl]urea
CID 91630693
3-(2-methoxynaphthalen-1-yl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]propanamide
CID 119106294
1-[(2-thiophen-2-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 91625850
1-(2,3-dimethoxyphenyl)-3-[(5-thiophen-2-ylfuran-2-yl)methyl]urea
CID 122264568
N-(2-methoxyphenyl)-2-oxo-2-thiophen-2-ylacetamide
CID 82121621
2-(2,4-difluorophenyl)-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]acetamide
CID 122163097
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(2-methoxyphenyl)urea
CID 121016835
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
N-(2-methoxyphenyl)-4-thiophen-2-ylbenzamide
CID 59673491
1-(2-methoxyphenyl)-3-(2-pyridin-4-ylethyl)urea
CID 974359
1-(2-methoxyphenyl)-3-[(2-thiophen-3-yl-4-pyridinyl)methyl]urea
CID 91625691

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea (CID 122163123) is 1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea is COc1ccccc1NC(=O)NCc1nccnc1-c1cccs1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea?
The InChIKey is FZKAHTXEOOCYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-23-14-6-3-2-5-12(14)21-17(22)20-11-13-16(19-9-8-18-13)15-7-4-10-24-15/h2-10H,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-methoxyphenyl)-3-[(3-thiophen-2-ylpyrazin-2-yl)methyl]urea?
1-(2-methoxyphenyl)-3-[(3-thiophen-2-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-2-ylpyrazin-2-yl)methyl]urea is sourced from PubChem (CID 122163123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).