1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea

C6H8BrN3OS — CID 174432181

IUPAC1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea
SMILESCCN(C(N)=O)c1ncc(Br)s1
InChIInChI=1S/C6H8BrN3OS/c1-2-10(5(8)11)6-9-3-4(7)12-6/h3H,2H2,1H3,(H2,8,11)
InChIKeyHAAUFDBUYOIWNC-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.81
Rot. Bonds2

About 1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea

1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea (PubChem CID 174432181) has the molecular formula C6H8BrN3OS and a molecular weight of 250.12 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea
PubChem CID174432181
Molecular FormulaC6H8BrN3OS
Molecular Weight250.12 g/mol
Exact Mass248.96
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea
SMILESCCN(C(N)=O)c1ncc(Br)s1
InChIInChI=1S/C6H8BrN3OS/c1-2-10(5(8)11)6-9-3-4(7)12-6/h3H,2H2,1H3,(H2,8,11)
InChIKeyHAAUFDBUYOIWNC-UHFFFAOYSA-N
XLogP1.81
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea (CID 174432181) is 1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea is CCN(C(N)=O)c1ncc(Br)s1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea?
The InChIKey is HAAUFDBUYOIWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3OS/c1-2-10(5(8)11)6-9-3-4(7)12-6/h3H,2H2,1H3,(H2,8,11).
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea?
1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea has a molecular weight of 250.12 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)-1-ethylurea is sourced from PubChem (CID 174432181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).