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

C18H17N3O2S — CID 122285973

IUPAC1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C18H17N3O2S/c1-12-19-16(11-24-12)13-6-5-7-14(10-13)20-18(22)21-15-8-3-4-9-17(15)23-2/h3-11H,1-2H3,(H2,20,21,22)
InChIKeyMCZRLLDJXIYRRN-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.77
Rot. Bonds4

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

1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea (PubChem CID 122285973) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
PubChem CID122285973
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
SMILESCOc1ccccc1NC(=O)Nc1cccc(-c2csc(C)n2)c1
InChIInChI=1S/C18H17N3O2S/c1-12-19-16(11-24-12)13-6-5-7-14(10-13)20-18(22)21-15-8-3-4-9-17(15)23-2/h3-11H,1-2H3,(H2,20,21,22)
InChIKeyMCZRLLDJXIYRRN-UHFFFAOYSA-N
XLogP4.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626924
2,4-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide;ethane
CID 143409150
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209
4-(3,4-dimethoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxobutanamide
CID 17490429
2-amino-3,3-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 76887854
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
2-(2-fluoroanilino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 26507291
2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8005927
4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3877402

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea (CID 122285973) is 1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea is COc1ccccc1NC(=O)Nc1cccc(-c2csc(C)n2)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
The InChIKey is MCZRLLDJXIYRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-19-16(11-24-12)13-6-5-7-14(10-13)20-18(22)21-15-8-3-4-9-17(15)23-2/h3-11H,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea has a molecular weight of 339.42 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea is sourced from PubChem (CID 122285973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).