1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea

C9H15N3O2S — CID 103868110

IUPAC1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
SMILESCCN(CC)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-3-12(4-2)8(13)10-5-7-6-15-9(14)11-7/h6H,3-5H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyICPOLURXPJELOI-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.99
Rot. Bonds4

About 1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea

1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea (PubChem CID 103868110) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
PubChem CID103868110
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea
SMILESCCN(CC)C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C9H15N3O2S/c1-3-12(4-2)8(13)10-5-7-6-15-9(14)11-7/h6H,3-5H2,1-2H3,(H,10,13)(H,11,14)
InChIKeyICPOLURXPJELOI-UHFFFAOYSA-N
XLogP0.99
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
The IUPAC name of 1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea (CID 103868110) is 1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea is CCN(CC)C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
The InChIKey is ICPOLURXPJELOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-12(4-2)8(13)10-5-7-6-15-9(14)11-7/h6H,3-5H2,1-2H3,(H,10,13)(H,11,14).
What are the key properties of 1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea?
1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea has a molecular weight of 229.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]urea is sourced from PubChem (CID 103868110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).