1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea

C7H10N4OS — CID 70456196

IUPAC1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea
SMILESC/N=C(\N)NC(=O)Nc1ccsc1
InChIInChI=1S/C7H10N4OS/c1-9-6(8)11-7(12)10-5-2-3-13-4-5/h2-4H,1H3,(H4,8,9,10,11,12)
InChIKeyYSMCLJSRRIWHHD-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.81
Rot. Bonds1

About 1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea

1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea (PubChem CID 70456196) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is 1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea
PubChem CID70456196
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea
SMILESC/N=C(\N)NC(=O)Nc1ccsc1
InChIInChI=1S/C7H10N4OS/c1-9-6(8)11-7(12)10-5-2-3-13-4-5/h2-4H,1H3,(H4,8,9,10,11,12)
InChIKeyYSMCLJSRRIWHHD-UHFFFAOYSA-N
XLogP0.81
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea?
The IUPAC name of 1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea (CID 70456196) is 1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea.
What is the SMILES notation for 1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea?
The canonical SMILES for 1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea is C/N=C(\N)NC(=O)Nc1ccsc1.
What is the InChIKey of 1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea?
The InChIKey is YSMCLJSRRIWHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c1-9-6(8)11-7(12)10-5-2-3-13-4-5/h2-4H,1H3,(H4,8,9,10,11,12).
What are the key properties of 1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea?
1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea has a molecular weight of 198.25 g/mol, XLogP of 0.81, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-methylcarbamimidoyl)-3-thiophen-3-ylurea is sourced from PubChem (CID 70456196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).