1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea

C9H9ClN4O2S — CID 70591473

IUPAC1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea
SMILESCN1C(=O)CN=C1NC(=O)Nc1csc(Cl)c1
InChIInChI=1S/C9H9ClN4O2S/c1-14-7(15)3-11-8(14)13-9(16)12-5-2-6(10)17-4-5/h2,4H,3H2,1H3,(H2,11,12,13,16)
InChIKeyKLDYPEFQXDMVPG-UHFFFAOYSA-N
MW272.72 g/mol
LogP1.35
Rot. Bonds1

About 1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea

1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea (PubChem CID 70591473) has the molecular formula C9H9ClN4O2S and a molecular weight of 272.72 g/mol. Its IUPAC name is 1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea.

Molecular Properties

Compound Name1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea
PubChem CID70591473
Molecular FormulaC9H9ClN4O2S
Molecular Weight272.72 g/mol
Exact Mass272.01
IUPAC Name1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea
SMILESCN1C(=O)CN=C1NC(=O)Nc1csc(Cl)c1
InChIInChI=1S/C9H9ClN4O2S/c1-14-7(15)3-11-8(14)13-9(16)12-5-2-6(10)17-4-5/h2,4H,3H2,1H3,(H2,11,12,13,16)
InChIKeyKLDYPEFQXDMVPG-UHFFFAOYSA-N
XLogP1.35
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.72
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea?
The IUPAC name of 1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea (CID 70591473) is 1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea.
What is the SMILES notation for 1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea?
The canonical SMILES for 1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea is CN1C(=O)CN=C1NC(=O)Nc1csc(Cl)c1.
What is the InChIKey of 1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea?
The InChIKey is KLDYPEFQXDMVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2S/c1-14-7(15)3-11-8(14)13-9(16)12-5-2-6(10)17-4-5/h2,4H,3H2,1H3,(H2,11,12,13,16).
What are the key properties of 1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea?
1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea has a molecular weight of 272.72 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-3-yl)-3-(1-methyl-5-oxo-4H-imidazol-2-yl)urea is sourced from PubChem (CID 70591473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).