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

C13H16N4OS — CID 122276968

IUPAC1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
SMILESCCCNC(=O)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C13H16N4OS/c1-2-4-16-13(18)17-8-11-12(15-6-5-14-11)10-3-7-19-9-10/h3,5-7,9H,2,4,8H2,1H3,(H2,16,17,18)
InChIKeyABRQNGJDPFIOJT-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.41
Rot. Bonds5

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

1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea (PubChem CID 122276968) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
PubChem CID122276968
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
SMILESCCCNC(=O)NCc1nccnc1-c1ccsc1
InChIInChI=1S/C13H16N4OS/c1-2-4-16-13(18)17-8-11-12(15-6-5-14-11)10-3-7-19-9-10/h3,5-7,9H,2,4,8H2,1H3,(H2,16,17,18)
InChIKeyABRQNGJDPFIOJT-UHFFFAOYSA-N
XLogP2.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276965
1-(4-butoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122162318
1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276966
1-cycloheptyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276998
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
1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122162320
5-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyrazine-2-carboxamide
CID 122276820
2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162296
2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246168
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122276862
1-(1,3-benzodioxol-5-yl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276988

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
The IUPAC name of 1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea (CID 122276968) is 1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea.
What is the SMILES notation for 1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
The canonical SMILES for 1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea is CCCNC(=O)NCc1nccnc1-c1ccsc1.
What is the InChIKey of 1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
The InChIKey is ABRQNGJDPFIOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-2-4-16-13(18)17-8-11-12(15-6-5-14-11)10-3-7-19-9-10/h3,5-7,9H,2,4,8H2,1H3,(H2,16,17,18).
What are the key properties of 1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea has a molecular weight of 276.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea is sourced from PubChem (CID 122276968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).