1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea

C19H21N3O2S — CID 3239926

IUPAC1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESCOc1ccccc1NC(=O)N(Cc1ccccc1)C1=NCC(C)S1
InChIInChI=1S/C19H21N3O2S/c1-14-12-20-19(25-14)22(13-15-8-4-3-5-9-15)18(23)21-16-10-6-7-11-17(16)24-2/h3-11,14H,12-13H2,1-2H3,(H,21,23)
InChIKeyNRHKFJLGSKEANL-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.22
Rot. Bonds4

About 1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea

1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea (PubChem CID 3239926) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
PubChem CID3239926
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea
SMILESCOc1ccccc1NC(=O)N(Cc1ccccc1)C1=NCC(C)S1
InChIInChI=1S/C19H21N3O2S/c1-14-12-20-19(25-14)22(13-15-8-4-3-5-9-15)18(23)21-16-10-6-7-11-17(16)24-2/h3-11,14H,12-13H2,1-2H3,(H,21,23)
InChIKeyNRHKFJLGSKEANL-UHFFFAOYSA-N
XLogP4.22
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-N'-(2-phenylethyl)urea
CID 853786
1,1-Dibenzyl-3-(2-methoxyphenyl)urea
CID 3595656
1,1-Dibenzyl-3-(2-methoxy-5-methylphenyl)urea
CID 4167053
1-[[1-(Dimethylamino)cyclohexyl]methyl]-3-(2-methoxyphenyl)urea
CID 2079298
4,5-Dihydro-N-(2-methoxy-5-methylphenyl)-4,4-dimethyl-2-thiazolamine
CID 2345334
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CID 1073879
3-Benzyl-2-(2-methoxy-phenylamino)-3,5-dihydro-imidazol-4-one
CID 648663
2-[(1-benzyl-1H-tetrazol-5-yl)thio]-N-(2-methoxyphenyl)acetamide
CID 1319426
3-(4-Chlorophenyl)-1-(4,5-dihydro-1,3-thiazol-2-yl)-1-(2-ethoxyphenyl)urea
CID 2345404
1-Benzyl-3-(2-ethoxyphenyl)urea
CID 2753222
(1-methyl-2,5-dioxopyrrolidin-3-yl) N'-[(4-methoxyphenyl)methyl]-N-phenylcarbamimidothioate
CID 3623574
2-((3-(2-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(m-tolyl)acetamide
CID 4535213

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea (CID 3239926) is 1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is COc1ccccc1NC(=O)N(Cc1ccccc1)C1=NCC(C)S1.
What is the InChIKey of 1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
The InChIKey is NRHKFJLGSKEANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-14-12-20-19(25-14)22(13-15-8-4-3-5-9-15)18(23)21-16-10-6-7-11-17(16)24-2/h3-11,14H,12-13H2,1-2H3,(H,21,23).
What are the key properties of 1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea?
1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea has a molecular weight of 355.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-methoxyphenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 3239926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).