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

C18H17N3O2S — CID 54773947

IUPAC1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccc(-c3nccs3)cc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-16-8-6-15(7-9-16)21-18(22)20-12-13-2-4-14(5-3-13)17-19-10-11-24-17/h2-11H,12H2,1H3,(H2,20,21,22)
InChIKeyDTJGUVWZDKNYFG-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.14
Rot. Bonds5

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

1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea (PubChem CID 54773947) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea
PubChem CID54773947
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea
SMILESCOc1ccc(NC(=O)NCc2ccc(-c3nccs3)cc2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-16-8-6-15(7-9-16)21-18(22)20-12-13-2-4-14(5-3-13)17-19-10-11-24-17/h2-11H,12H2,1H3,(H2,20,21,22)
InChIKeyDTJGUVWZDKNYFG-UHFFFAOYSA-N
XLogP4.14
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
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-propyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103579
1-butyl-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 47103578
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545843
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
1-[(1-hydroxycyclobutyl)methyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 111437554
1-(4-formylphenyl)-3-[(4-methoxyphenyl)methyl]urea
CID 156825217
1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545932
1-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 23795256
1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[4-(1,3-thiazol-2-yl)phenyl]urea
CID 52506357
1-[4-[(4-methoxyphenyl)methylsulfanylamino]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 142402036
1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea
CID 156824740

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea (CID 54773947) is 1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea is COc1ccc(NC(=O)NCc2ccc(-c3nccs3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea?
The InChIKey is DTJGUVWZDKNYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-16-8-6-15(7-9-16)21-18(22)20-12-13-2-4-14(5-3-13)17-19-10-11-24-17/h2-11H,12H2,1H3,(H2,20,21,22).
What are the key properties of 1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea?
1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea has a molecular weight of 339.42 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea is sourced from PubChem (CID 54773947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).