1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea

C18H17N3O2S — CID 86842046

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea
SMILESCc1ncc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C18H17N3O2S/c1-13-19-11-17(24-13)12-20-18(22)21-14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H2,20,21,22)
InChIKeyMBIQPIKCWFJYBF-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.57
Rot. Bonds5

About 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea

1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea (PubChem CID 86842046) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea
PubChem CID86842046
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea
SMILESCc1ncc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C18H17N3O2S/c1-13-19-11-17(24-13)12-20-18(22)21-14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H2,20,21,22)
InChIKeyMBIQPIKCWFJYBF-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxyphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842157
1-(3-acetylphenyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 61481423
1-(1,3-benzothiazol-2-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86836959
N-(4-methoxyphenyl)-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]acetamide
CID 61281225
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(3-phenylpropyl)urea
CID 86841626
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86836191
3-bromo-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]benzoic acid
CID 63113715
1-[3-(dimethylsulfamoyl)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842053
1-(1-benzylpyrazol-3-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86842153
1-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86841826
2-[(4-phenoxyphenyl)carbamoylamino]acetamide
CID 54573281
2-(2-hydroxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 78916971

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea (CID 86842046) is 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea is Cc1ncc(CNC(=O)Nc2ccc(Oc3ccccc3)cc2)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea?
The InChIKey is MBIQPIKCWFJYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-13-19-11-17(24-13)12-20-18(22)21-14-7-9-16(10-8-14)23-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H2,20,21,22).
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea?
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea has a molecular weight of 339.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(4-phenoxyphenyl)urea is sourced from PubChem (CID 86842046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).