1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea

C9H10N4O2S — CID 70590135

IUPAC1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea
SMILESCN1C(=O)CN=C1NC(=O)Nc1cccs1
InChIInChI=1S/C9H10N4O2S/c1-13-7(14)5-10-8(13)12-9(15)11-6-3-2-4-16-6/h2-4H,5H2,1H3,(H2,10,11,12,15)
InChIKeyDRAGNDKIRGBXDZ-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.70
Rot. Bonds1

About 1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea

1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea (PubChem CID 70590135) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea
PubChem CID70590135
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea
SMILESCN1C(=O)CN=C1NC(=O)Nc1cccs1
InChIInChI=1S/C9H10N4O2S/c1-13-7(14)5-10-8(13)12-9(15)11-6-3-2-4-16-6/h2-4H,5H2,1H3,(H2,10,11,12,15)
InChIKeyDRAGNDKIRGBXDZ-UHFFFAOYSA-N
XLogP0.70
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea?
The IUPAC name of 1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea (CID 70590135) is 1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea.
What is the SMILES notation for 1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea?
The canonical SMILES for 1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea is CN1C(=O)CN=C1NC(=O)Nc1cccs1.
What is the InChIKey of 1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea?
The InChIKey is DRAGNDKIRGBXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-13-7(14)5-10-8(13)12-9(15)11-6-3-2-4-16-6/h2-4H,5H2,1H3,(H2,10,11,12,15).
What are the key properties of 1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea?
1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea has a molecular weight of 238.27 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5-oxo-4H-imidazol-2-yl)-3-thiophen-2-ylurea is sourced from PubChem (CID 70590135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).