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

C18H17N3O2S — CID 90626924

IUPAC1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccccc2-c2csc(C)n2)c1
InChIInChI=1S/C18H17N3O2S/c1-12-19-17(11-24-12)15-8-3-4-9-16(15)21-18(22)20-13-6-5-7-14(10-13)23-2/h3-11H,1-2H3,(H2,20,21,22)
InChIKeyWINMYPDQCPPRFW-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.77
Rot. Bonds4

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

1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea (PubChem CID 90626924) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
PubChem CID90626924
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2ccccc2-c2csc(C)n2)c1
InChIInChI=1S/C18H17N3O2S/c1-12-19-17(11-24-12)15-8-3-4-9-16(15)21-18(22)20-13-6-5-7-14(10-13)23-2/h3-11H,1-2H3,(H2,20,21,22)
InChIKeyWINMYPDQCPPRFW-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

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Related Compounds

1-(4-fluorophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 90626921
1-(2-methoxyphenyl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 122285973
1-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-propan-2-ylurea
CID 90626941
1-(3-methoxyphenyl)-3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]urea
CID 4519858
1-(3-methoxyphenyl)-3-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]urea
CID 58616068
3,4-dimethoxy-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626060
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 90626039
1-[(2S)-1-hydroxy-4-methoxybutan-2-yl]-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea
CID 124888592
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 99129467
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 90626142
(E)-N-(3-methoxyphenyl)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 17423420

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea (CID 90626924) is 1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea is COc1cccc(NC(=O)Nc2ccccc2-c2csc(C)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
The InChIKey is WINMYPDQCPPRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-19-17(11-24-12)15-8-3-4-9-16(15)21-18(22)20-13-6-5-7-14(10-13)23-2/h3-11H,1-2H3,(H2,20,21,22).
What are the key properties of 1-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea?
1-(3-methoxyphenyl)-3-[2-(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-(3-methoxyphenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]urea is sourced from PubChem (CID 90626924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).