1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea

C13H14ClN3O2S — CID 108883461

IUPAC1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCCCOc1ccccc1Cl)Nc1nccs1
InChIInChI=1S/C13H14ClN3O2S/c14-10-4-1-2-5-11(10)19-8-3-6-15-12(18)17-13-16-7-9-20-13/h1-2,4-5,7,9H,3,6,8H2,(H2,15,16,17,18)
InChIKeyPFEVEIGZMCOMMK-UHFFFAOYSA-N
MW311.79 g/mol
LogP3.39
Rot. Bonds6

About 1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea

1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 108883461) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID108883461
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea
SMILESO=C(NCCCOc1ccccc1Cl)Nc1nccs1
InChIInChI=1S/C13H14ClN3O2S/c14-10-4-1-2-5-11(10)19-8-3-6-15-12(18)17-13-16-7-9-20-13/h1-2,4-5,7,9H,3,6,8H2,(H2,15,16,17,18)
InChIKeyPFEVEIGZMCOMMK-UHFFFAOYSA-N
XLogP3.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 707255
1-[2-(4-chlorophenoxy)ethyl]-3-(1,3-thiazol-2-yl)urea
CID 47149786
1-(3-phenylpropyl)-3-(1,3-thiazol-2-yl)urea
CID 47148360
1-[3-(2-chlorophenoxy)propyl]-3-(pyridin-4-ylmethyl)urea
CID 108883450
1-[3-(2-chlorophenoxy)propyl]-3-(2-cyanoethyl)urea
CID 108883678
1-[2-(2-chlorophenoxy)ethyl]-3-phenylurea
CID 2972238
1-[3-(2-chlorophenoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 108883611
1-[3-(2-chlorophenoxy)propyl]-3-(2-ethoxyphenyl)urea
CID 108883575
1-[3-(2-chlorophenoxy)propyl]-3-naphthalen-1-ylurea
CID 108883534
1-[(2-chlorophenoxy)methyl]-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 4867001
1-[3-(2-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]urea
CID 108883382
1-(4-tert-butylphenyl)-3-[3-(2-chlorophenoxy)propyl]urea
CID 108883554

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea (CID 108883461) is 1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea is O=C(NCCCOc1ccccc1Cl)Nc1nccs1.
What is the InChIKey of 1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is PFEVEIGZMCOMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c14-10-4-1-2-5-11(10)19-8-3-6-15-12(18)17-13-16-7-9-20-13/h1-2,4-5,7,9H,3,6,8H2,(H2,15,16,17,18).
What are the key properties of 1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea?
1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 311.79 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chlorophenoxy)propyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 108883461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).