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

C19H20ClN3O2S — CID 5092626

IUPAC3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESCCOc1ccccc1N(C(=O)Nc1cccc(Cl)c1)C1=NC(C)CS1
InChIInChI=1S/C19H20ClN3O2S/c1-3-25-17-10-5-4-9-16(17)23(19-21-13(2)12-26-19)18(24)22-15-8-6-7-14(20)11-15/h4-11,13H,3,12H2,1-2H3,(H,22,24)
InChIKeyHQYDKFFPSWZXSM-UHFFFAOYSA-N
MW389.91 g/mol
LogP5.27
Rot. Bonds4

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

3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea (PubChem CID 5092626) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
PubChem CID5092626
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESCCOc1ccccc1N(C(=O)Nc1cccc(Cl)c1)C1=NC(C)CS1
InChIInChI=1S/C19H20ClN3O2S/c1-3-25-17-10-5-4-9-16(17)23(19-21-13(2)12-26-19)18(24)22-15-8-6-7-14(20)11-15/h4-11,13H,3,12H2,1-2H3,(H,22,24)
InChIKeyHQYDKFFPSWZXSM-UHFFFAOYSA-N
XLogP5.27
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.91
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea
CID 2345404
3-(4-Chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
CID 4048786
N-(5-chloro-2-methoxyphenyl)-2-[[3-(2-methoxyethyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 4096501
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
N-(5-chloro-2-phenoxyphenyl)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2126261
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
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}-N-(3-methoxypropyl)acetamide
CID 135442400
N-(sec-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 135481950
N-(5-chloro-2-methoxyphenyl)-2-(4-hydroxy-6-oxo-1-propylpyrimidin-2-yl)sulfanylacetamide
CID 135558635

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea (CID 5092626) is 3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is CCOc1ccccc1N(C(=O)Nc1cccc(Cl)c1)C1=NC(C)CS1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The InChIKey is HQYDKFFPSWZXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-3-25-17-10-5-4-9-16(17)23(19-21-13(2)12-26-19)18(24)22-15-8-6-7-14(20)11-15/h4-11,13H,3,12H2,1-2H3,(H,22,24).
What are the key properties of 3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea has a molecular weight of 389.91 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 5092626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).