1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea

C7H11N3O2S — CID 127018306

IUPAC1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCCONC(=O)Nc1ncc(C)s1
InChIInChI=1S/C7H11N3O2S/c1-3-12-10-6(11)9-7-8-4-5(2)13-7/h4H,3H2,1-2H3,(H2,8,9,10,11)
InChIKeyQGTNODRUIULONU-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.52
Rot. Bonds3

About 1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea

1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 127018306) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID127018306
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCCONC(=O)Nc1ncc(C)s1
InChIInChI=1S/C7H11N3O2S/c1-3-12-10-6(11)9-7-8-4-5(2)13-7/h4H,3H2,1-2H3,(H2,8,9,10,11)
InChIKeyQGTNODRUIULONU-UHFFFAOYSA-N
XLogP1.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetate
CID 43384951
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 59293942
1-(2,2-difluoroethyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 124607917
1-ethoxy-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 91649459
N-methyl-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]acetamide
CID 47196954
1-(1-hydroxypropan-2-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 47196994
3,5-diethoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 59736022
2-(aminomethyl)-2-ethyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 115431582
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
3-methoxy-2-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 81085421
1-(3-hydroxybutyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71931128
(2S)-2-hydroxy-3-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]propanoic acid
CID 107838128

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 127018306) is 1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea is CCONC(=O)Nc1ncc(C)s1.
What is the InChIKey of 1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is QGTNODRUIULONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-3-12-10-6(11)9-7-8-4-5(2)13-7/h4H,3H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 201.25 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 127018306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).