1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea

C12H14N6O2S — CID 72882799

IUPAC1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCNC1=O)Nc1cccc2nsnc12
InChIInChI=1S/C12H14N6O2S/c19-11(13-4-6-18-7-5-14-12(18)20)15-8-2-1-3-9-10(8)17-21-16-9/h1-3H,4-7H2,(H,14,20)(H2,13,15,19)
InChIKeyGVGICUVKPYBYIP-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.84
Rot. Bonds4

About 1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea

1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea (PubChem CID 72882799) has the molecular formula C12H14N6O2S and a molecular weight of 306.35 g/mol. Its IUPAC name is 1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
PubChem CID72882799
Molecular FormulaC12H14N6O2S
Molecular Weight306.35 g/mol
Exact Mass306.09
IUPAC Name1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
SMILESO=C(NCCN1CCNC1=O)Nc1cccc2nsnc12
InChIInChI=1S/C12H14N6O2S/c19-11(13-4-6-18-7-5-14-12(18)20)15-8-2-1-3-9-10(8)17-21-16-9/h1-3H,4-7H2,(H,14,20)(H2,13,15,19)
InChIKeyGVGICUVKPYBYIP-UHFFFAOYSA-N
XLogP0.84
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The IUPAC name of 1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea (CID 72882799) is 1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea is O=C(NCCN1CCNC1=O)Nc1cccc2nsnc12.
What is the InChIKey of 1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
The InChIKey is GVGICUVKPYBYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2S/c19-11(13-4-6-18-7-5-14-12(18)20)15-8-2-1-3-9-10(8)17-21-16-9/h1-3H,4-7H2,(H,14,20)(H2,13,15,19).
What are the key properties of 1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea?
1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea has a molecular weight of 306.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea is sourced from PubChem (CID 72882799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).