1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea

C8H10Cl2N2OS — CID 130681676

IUPAC1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1cc(Cl)sc1Cl
InChIInChI=1S/C8H10Cl2N2OS/c1-2-11-8(13)12-4-5-3-6(9)14-7(5)10/h3H,2,4H2,1H3,(H2,11,12,13)
InChIKeyWIXIWBYTKYANML-UHFFFAOYSA-N
MW253.15 g/mol
LogP2.87
Rot. Bonds3

About 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea

1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea (PubChem CID 130681676) has the molecular formula C8H10Cl2N2OS and a molecular weight of 253.15 g/mol. Its IUPAC name is 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea
PubChem CID130681676
Molecular FormulaC8H10Cl2N2OS
Molecular Weight253.15 g/mol
Exact Mass251.99
IUPAC Name1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea
SMILESCCNC(=O)NCc1cc(Cl)sc1Cl
InChIInChI=1S/C8H10Cl2N2OS/c1-2-11-8(13)12-4-5-3-6(9)14-7(5)10/h3H,2,4H2,1H3,(H2,11,12,13)
InChIKeyWIXIWBYTKYANML-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea?
The IUPAC name of 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea (CID 130681676) is 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea.
What is the SMILES notation for 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea?
The canonical SMILES for 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea is CCNC(=O)NCc1cc(Cl)sc1Cl.
What is the InChIKey of 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea?
The InChIKey is WIXIWBYTKYANML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2OS/c1-2-11-8(13)12-4-5-3-6(9)14-7(5)10/h3H,2,4H2,1H3,(H2,11,12,13).
What are the key properties of 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea?
1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea has a molecular weight of 253.15 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorothiophen-3-yl)methyl]-3-ethylurea is sourced from PubChem (CID 130681676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).