1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea

C12H21N3O2S — CID 71859755

IUPAC1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea
SMILESCCc1csc(NC(=O)N(CC)CC(C)(C)O)n1
InChIInChI=1S/C12H21N3O2S/c1-5-9-7-18-10(13-9)14-11(16)15(6-2)8-12(3,4)17/h7,17H,5-6,8H2,1-4H3,(H,13,14,16)
InChIKeyQWUPPUQDBOSVJU-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.33
Rot. Bonds5

About 1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea

1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea (PubChem CID 71859755) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea
PubChem CID71859755
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea
SMILESCCc1csc(NC(=O)N(CC)CC(C)(C)O)n1
InChIInChI=1S/C12H21N3O2S/c1-5-9-7-18-10(13-9)14-11(16)15(6-2)8-12(3,4)17/h7,17H,5-6,8H2,1-4H3,(H,13,14,16)
InChIKeyQWUPPUQDBOSVJU-UHFFFAOYSA-N
XLogP2.33
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea?
The IUPAC name of 1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea (CID 71859755) is 1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea.
What is the SMILES notation for 1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea?
The canonical SMILES for 1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea is CCc1csc(NC(=O)N(CC)CC(C)(C)O)n1.
What is the InChIKey of 1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea?
The InChIKey is QWUPPUQDBOSVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-9-7-18-10(13-9)14-11(16)15(6-2)8-12(3,4)17/h7,17H,5-6,8H2,1-4H3,(H,13,14,16).
What are the key properties of 1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea?
1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea has a molecular weight of 271.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-ethyl-1,3-thiazol-2-yl)-1-(2-hydroxy-2-methylpropyl)urea is sourced from PubChem (CID 71859755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).