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

C16H14N4OS — CID 122276965

IUPAC1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
SMILESO=C(NCc1nccnc1-c1ccsc1)Nc1ccccc1
InChIInChI=1S/C16H14N4OS/c21-16(20-13-4-2-1-3-5-13)19-10-14-15(18-8-7-17-14)12-6-9-22-11-12/h1-9,11H,10H2,(H2,19,20,21)
InChIKeyMCTLKGIGPYKKTQ-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.53
Rot. Bonds4

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

1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea (PubChem CID 122276965) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
PubChem CID122276965
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC Name1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
SMILESO=C(NCc1nccnc1-c1ccsc1)Nc1ccccc1
InChIInChI=1S/C16H14N4OS/c21-16(20-13-4-2-1-3-5-13)19-10-14-15(18-8-7-17-14)12-6-9-22-11-12/h1-9,11H,10H2,(H2,19,20,21)
InChIKeyMCTLKGIGPYKKTQ-UHFFFAOYSA-N
XLogP3.53
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276944
1-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122162320
1-(1,3-benzodioxol-5-yl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276988
1-propyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276968
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
2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162296
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 122162286
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 122162281

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
The IUPAC name of 1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea (CID 122276965) is 1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea.
What is the SMILES notation for 1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
The canonical SMILES for 1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea is O=C(NCc1nccnc1-c1ccsc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
The InChIKey is MCTLKGIGPYKKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c21-16(20-13-4-2-1-3-5-13)19-10-14-15(18-8-7-17-14)12-6-9-22-11-12/h1-9,11H,10H2,(H2,19,20,21).
What are the key properties of 1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea has a molecular weight of 310.38 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea is sourced from PubChem (CID 122276965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).