1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea

C6H8IN3OS — CID 119090293

IUPAC1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1ncc(I)s1
InChIInChI=1S/C6H8IN3OS/c1-8-5(11)10(2)6-9-3-4(7)12-6/h3H,1-2H3,(H,8,11)
InChIKeyUUOIYHYJWAGZPL-UHFFFAOYSA-N
MW297.12 g/mol
LogP1.52
Rot. Bonds1

About 1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea

1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea (PubChem CID 119090293) has the molecular formula C6H8IN3OS and a molecular weight of 297.12 g/mol. Its IUPAC name is 1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea
PubChem CID119090293
Molecular FormulaC6H8IN3OS
Molecular Weight297.12 g/mol
Exact Mass296.94
IUPAC Name1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1ncc(I)s1
InChIInChI=1S/C6H8IN3OS/c1-8-5(11)10(2)6-9-3-4(7)12-6/h3H,1-2H3,(H,8,11)
InChIKeyUUOIYHYJWAGZPL-UHFFFAOYSA-N
XLogP1.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea?
The IUPAC name of 1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea (CID 119090293) is 1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea.
What is the SMILES notation for 1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea?
The canonical SMILES for 1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea is CNC(=O)N(C)c1ncc(I)s1.
What is the InChIKey of 1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea?
The InChIKey is UUOIYHYJWAGZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3OS/c1-8-5(11)10(2)6-9-3-4(7)12-6/h3H,1-2H3,(H,8,11).
What are the key properties of 1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea?
1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea has a molecular weight of 297.12 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodo-1,3-thiazol-2-yl)-1,3-dimethylurea is sourced from PubChem (CID 119090293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).