1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea

C17H16N4O3S — CID 127036477

IUPAC1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cc(NC(=O)Nc2nccs2)cc(-c2cccnc2)c1OC
InChIInChI=1S/C17H16N4O3S/c1-23-14-9-12(20-16(22)21-17-19-6-7-25-17)8-13(15(14)24-2)11-4-3-5-18-10-11/h3-10H,1-2H3,(H2,19,20,21,22)
InChIKeyKNHKFZXMTYARSM-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.87
Rot. Bonds5

About 1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea

1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 127036477) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea
PubChem CID127036477
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cc(NC(=O)Nc2nccs2)cc(-c2cccnc2)c1OC
InChIInChI=1S/C17H16N4O3S/c1-23-14-9-12(20-16(22)21-17-19-6-7-25-17)8-13(15(14)24-2)11-4-3-5-18-10-11/h3-10H,1-2H3,(H2,19,20,21,22)
InChIKeyKNHKFZXMTYARSM-UHFFFAOYSA-N
XLogP3.87
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea (CID 127036477) is 1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea is COc1cc(NC(=O)Nc2nccs2)cc(-c2cccnc2)c1OC.
What is the InChIKey of 1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is KNHKFZXMTYARSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-23-14-9-12(20-16(22)21-17-19-6-7-25-17)8-13(15(14)24-2)11-4-3-5-18-10-11/h3-10H,1-2H3,(H2,19,20,21,22).
What are the key properties of 1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea?
1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 356.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxy-5-pyridin-3-ylphenyl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 127036477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).