1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea

C19H19N3O2S — CID 87035840

IUPAC1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESCOc1ccc(CN(C)C(=O)Nc2cccc(-c3nccs3)c2)cc1
InChIInChI=1S/C19H19N3O2S/c1-22(13-14-6-8-17(24-2)9-7-14)19(23)21-16-5-3-4-15(12-16)18-20-10-11-25-18/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyVHVYXVRHTTZFAF-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.48
Rot. Bonds5

About 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea

1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea (PubChem CID 87035840) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
PubChem CID87035840
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
SMILESCOc1ccc(CN(C)C(=O)Nc2cccc(-c3nccs3)c2)cc1
InChIInChI=1S/C19H19N3O2S/c1-22(13-14-6-8-17(24-2)9-7-14)19(23)21-16-5-3-4-15(12-16)18-20-10-11-25-18/h3-12H,13H2,1-2H3,(H,21,23)
InChIKeyVHVYXVRHTTZFAF-UHFFFAOYSA-N
XLogP4.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795536
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545843
N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372097
1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 87044605
1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 54773947
3-[3-(2-methoxyethoxy)phenyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 87010136
1-(2-hydroxyethyl)-1-pentyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 111120618
3-amino-2-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 62671032
3-(4-aminophenyl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 61418141
2-(aminomethyl)-3-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]butanamide
CID 65230148
2-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]propanamide
CID 107904091
1-methyl-3-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]-1-(1,3-thiazol-2-ylmethyl)urea
CID 71865826

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea (CID 87035840) is 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea is COc1ccc(CN(C)C(=O)Nc2cccc(-c3nccs3)c2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
The InChIKey is VHVYXVRHTTZFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-22(13-14-6-8-17(24-2)9-7-14)19(23)21-16-5-3-4-15(12-16)18-20-10-11-25-18/h3-12H,13H2,1-2H3,(H,21,23).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea?
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea has a molecular weight of 353.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea is sourced from PubChem (CID 87035840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).