3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea

C18H18ClN3O2S — CID 2345404

IUPAC3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1N(C(=O)Nc1ccc(Cl)cc1)C1=NCCS1
InChIInChI=1S/C18H18ClN3O2S/c1-2-24-16-6-4-3-5-15(16)22(18-20-11-12-25-18)17(23)21-14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyOUQHBVIMAOYXQN-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.88
Rot. Bonds4

About 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea

3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea (PubChem CID 2345404) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea
PubChem CID2345404
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea
SMILESCCOc1ccccc1N(C(=O)Nc1ccc(Cl)cc1)C1=NCCS1
InChIInChI=1S/C18H18ClN3O2S/c1-2-24-16-6-4-3-5-15(16)22(18-20-11-12-25-18)17(23)21-14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyOUQHBVIMAOYXQN-UHFFFAOYSA-N
XLogP4.88
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Chlorophenyl)-3-(2-ethoxyphenyl)urea
CID 295292
N-(2-chlorophenyl)-N'-(2-propoxyphenyl)urea
CID 2194833
3-(4-Chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 4048786
3-(3-Chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 5092626
1-(4-Chlorophenyl)-3-[4-[2-(dimethylamino)ethoxy]phenyl]urea
CID 71625482
N-butyl-2-{[3-(5-chloro-2-methoxyphenyl)-7-oxo-2-thioxo-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]thio}acetamide
CID 135519493
N-(5-chloro-2-methoxyphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 658966
N-(5-chloro-2-phenoxyphenyl)-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135408428
3-(4-Chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2,5-dimethoxyphenyl)urea
CID 2346874
N-(5-chloro-2-methoxyphenyl)-N'-(3-chlorophenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 2969605
N-benzyl-N'-(2-methoxyphenyl)-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 3239926
N-(4-chlorophenyl)-2-(2-fluorophenoxy)-N-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 17528926

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea (CID 2345404) is 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea is CCOc1ccccc1N(C(=O)Nc1ccc(Cl)cc1)C1=NCCS1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea?
The InChIKey is OUQHBVIMAOYXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-2-24-16-6-4-3-5-15(16)22(18-20-11-12-25-18)17(23)21-14-9-7-13(19)8-10-14/h3-10H,2,11-12H2,1H3,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea?
3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea has a molecular weight of 375.88 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea is sourced from PubChem (CID 2345404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).