1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea

C11H19N3O2S — CID 111117313

IUPAC1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea
SMILESCCc1nc(C(C)NC(=O)NCCCO)cs1
InChIInChI=1S/C11H19N3O2S/c1-3-10-14-9(7-17-10)8(2)13-11(16)12-5-4-6-15/h7-8,15H,3-6H2,1-2H3,(H2,12,13,16)
InChIKeyZQMWXXGFULPTEZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.45
Rot. Bonds6

About 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea

1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea (PubChem CID 111117313) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea
PubChem CID111117313
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea
SMILESCCc1nc(C(C)NC(=O)NCCCO)cs1
InChIInChI=1S/C11H19N3O2S/c1-3-10-14-9(7-17-10)8(2)13-11(16)12-5-4-6-15/h7-8,15H,3-6H2,1-2H3,(H2,12,13,16)
InChIKeyZQMWXXGFULPTEZ-UHFFFAOYSA-N
XLogP1.45
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea?
The IUPAC name of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea (CID 111117313) is 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea.
What is the SMILES notation for 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea?
The canonical SMILES for 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea is CCc1nc(C(C)NC(=O)NCCCO)cs1.
What is the InChIKey of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea?
The InChIKey is ZQMWXXGFULPTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-3-10-14-9(7-17-10)8(2)13-11(16)12-5-4-6-15/h7-8,15H,3-6H2,1-2H3,(H2,12,13,16).
What are the key properties of 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea?
1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea has a molecular weight of 257.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxypropyl)urea is sourced from PubChem (CID 111117313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).