1-ethyl-3-(1,3-thiazol-2-yl)urea

C6H9N3OS — CID 2382314

IUPAC1-ethyl-3-(1,3-thiazol-2-yl)urea
SMILESCCNC(=O)Nc1nccs1
InChIInChI=1S/C6H9N3OS/c1-2-7-5(10)9-6-8-3-4-11-6/h3-4H,2H2,1H3,(H2,7,8,9,10)
InChIKeyQJLXNWDDALWJDF-UHFFFAOYSA-N
MW171.23 g/mol
LogP1.28
Rot. Bonds2

About 1-ethyl-3-(1,3-thiazol-2-yl)urea

1-ethyl-3-(1,3-thiazol-2-yl)urea (PubChem CID 2382314) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is 1-ethyl-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(1,3-thiazol-2-yl)urea
PubChem CID2382314
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC Name1-ethyl-3-(1,3-thiazol-2-yl)urea
SMILESCCNC(=O)Nc1nccs1
InChIInChI=1S/C6H9N3OS/c1-2-7-5(10)9-6-8-3-4-11-6/h3-4H,2H2,1H3,(H2,7,8,9,10)
InChIKeyQJLXNWDDALWJDF-UHFFFAOYSA-N
XLogP1.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-ethyl-3-(1,3-thiazol-2-yl)urea (CID 2382314) is 1-ethyl-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-ethyl-3-(1,3-thiazol-2-yl)urea is CCNC(=O)Nc1nccs1.
What is the InChIKey of 1-ethyl-3-(1,3-thiazol-2-yl)urea?
The InChIKey is QJLXNWDDALWJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c1-2-7-5(10)9-6-8-3-4-11-6/h3-4H,2H2,1H3,(H2,7,8,9,10).
What are the key properties of 1-ethyl-3-(1,3-thiazol-2-yl)urea?
1-ethyl-3-(1,3-thiazol-2-yl)urea has a molecular weight of 171.23 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 2382314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).