1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea

C11H11ClN4O2S — CID 71851267

IUPAC1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCCOc1ccc(Cl)cn1)Nc1nccs1
InChIInChI=1S/C11H11ClN4O2S/c12-8-1-2-9(15-7-8)18-5-3-13-10(17)16-11-14-4-6-19-11/h1-2,4,6-7H,3,5H2,(H2,13,14,16,17)
InChIKeyGXVARNPMRZGLJK-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.39
Rot. Bonds5

About 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea

1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 71851267) has the molecular formula C11H11ClN4O2S and a molecular weight of 298.75 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID71851267
Molecular FormulaC11H11ClN4O2S
Molecular Weight298.75 g/mol
Exact Mass298.03
IUPAC Name1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCCOc1ccc(Cl)cn1)Nc1nccs1
InChIInChI=1S/C11H11ClN4O2S/c12-8-1-2-9(15-7-8)18-5-3-13-10(17)16-11-14-4-6-19-11/h1-2,4,6-7H,3,5H2,(H2,13,14,16,17)
InChIKeyGXVARNPMRZGLJK-UHFFFAOYSA-N
XLogP2.39
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-chloro-3-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155518226
4-[(4-chloro-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155530940
4-[(6-chloro-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155553594
1-[2-[(3-Chloro-2-pyridinyl)oxy]ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 71850958
1-[2-[(5-Chloro-2-pyridinyl)oxy]ethyl]-3-pyridin-2-ylurea
CID 71918765
1-[2-[(3-Chloro-2-pyridinyl)oxy]ethyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 71969571
1-[2-[(3-Chloro-2-pyridinyl)oxy]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71969918
US20240308995, Example 1-101
CID 148779699
US20240308995, Example 1-90
CID 153550480
1-[2-[(5-Chloro-2-pyridinyl)oxy]ethyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 71969582
N-[5-[[(2S)-4-[(5-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
CID 153550396
N-[5-[[(2S)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
CID 153550464

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea (CID 71851267) is 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea is O=C(NCCOc1ccc(Cl)cn1)Nc1nccs1.
What is the InChIKey of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is GXVARNPMRZGLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2S/c12-8-1-2-9(15-7-8)18-5-3-13-10(17)16-11-14-4-6-19-11/h1-2,4,6-7H,3,5H2,(H2,13,14,16,17).
What are the key properties of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea?
1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 298.75 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 71851267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).