1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea

C16H13ClN4OS — CID 122276966

IUPAC1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
SMILESO=C(NCc1nccnc1-c1ccsc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4OS/c17-12-1-3-13(4-2-12)21-16(22)20-9-14-15(19-7-6-18-14)11-5-8-23-10-11/h1-8,10H,9H2,(H2,20,21,22)
InChIKeyFBZMDDHYKAWFKH-UHFFFAOYSA-N
MW344.83 g/mol
LogP4.18
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea

1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea (PubChem CID 122276966) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
PubChem CID122276966
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC Name1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
SMILESO=C(NCc1nccnc1-c1ccsc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4OS/c17-12-1-3-13(4-2-12)21-16(22)20-9-14-15(19-7-6-18-14)11-5-8-23-10-11/h1-8,10H,9H2,(H2,20,21,22)
InChIKeyFBZMDDHYKAWFKH-UHFFFAOYSA-N
XLogP4.18
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 54.18
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-quinolin-6-yl-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122276944
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-(2-methoxyphenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea
CID 122162320
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
5-chloro-2-methoxy-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122276713
2,6-difluoro-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122162296
5-methyl-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]pyrazine-2-carboxamide
CID 122276820
2-bromo-N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]benzamide
CID 122246168

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea (CID 122276966) is 1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea is O=C(NCc1nccnc1-c1ccsc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
The InChIKey is FBZMDDHYKAWFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c17-12-1-3-13(4-2-12)21-16(22)20-9-14-15(19-7-6-18-14)11-5-8-23-10-11/h1-8,10H,9H2,(H2,20,21,22).
What are the key properties of 1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea?
1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea has a molecular weight of 344.83 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(3-thiophen-3-ylpyrazin-2-yl)methyl]urea is sourced from PubChem (CID 122276966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).