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

C15H15N5O2S — CID 90602974

IUPAC1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea
SMILESCc1nc(-c2nnc(NC(=O)Nc3ccc(C)c(C)c3)o2)cs1
InChIInChI=1S/C15H15N5O2S/c1-8-4-5-11(6-9(8)2)17-14(21)18-15-20-19-13(22-15)12-7-23-10(3)16-12/h4-7H,1-3H3,(H2,17,18,20,21)
InChIKeyAOBZHZMXEYHURY-UHFFFAOYSA-N
MW329.39 g/mol
LogP3.76
Rot. Bonds3

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

1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea (PubChem CID 90602974) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea
PubChem CID90602974
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea
SMILESCc1nc(-c2nnc(NC(=O)Nc3ccc(C)c(C)c3)o2)cs1
InChIInChI=1S/C15H15N5O2S/c1-8-4-5-11(6-9(8)2)17-14(21)18-15-20-19-13(22-15)12-7-23-10(3)16-12/h4-7H,1-3H3,(H2,17,18,20,21)
InChIKeyAOBZHZMXEYHURY-UHFFFAOYSA-N
XLogP3.76
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]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

2,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602901
2-methyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602753
3,5-dimethyl-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 90602756
3-methoxy-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 90602900
2-(4-fluorophenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 90602820
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 90602823
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenylbutanamide
CID 90602825
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-3-nitrobenzamide
CID 90602788
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 90602930
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-2-phenyltriazole-4-carboxamide
CID 90602681
2-ethoxy-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 90602796
2-(1-methylindol-3-yl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 90602717

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea (CID 90602974) is 1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea is Cc1nc(-c2nnc(NC(=O)Nc3ccc(C)c(C)c3)o2)cs1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea?
The InChIKey is AOBZHZMXEYHURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-8-4-5-11(6-9(8)2)17-14(21)18-15-20-19-13(22-15)12-7-23-10(3)16-12/h4-7H,1-3H3,(H2,17,18,20,21).
What are the key properties of 1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea?
1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea has a molecular weight of 329.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]urea is sourced from PubChem (CID 90602974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).