1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea

C26H27N3O3S — CID 23167542

IUPAC1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea
SMILESCCC(OC)(c1cc(OCc2ccc3ccccc3c2)cc(N(C)C(N)=O)c1)c1nccs1
InChIInChI=1S/C26H27N3O3S/c1-4-26(31-3,24-28-11-12-33-24)21-14-22(29(2)25(27)30)16-23(15-21)32-17-18-9-10-19-7-5-6-8-20(19)13-18/h5-16H,4,17H2,1-3H3,(H2,27,30)
InChIKeyHFSWICJQMZBHJZ-UHFFFAOYSA-N
MW461.59 g/mol
LogP5.69
Rot. Bonds8

About 1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea

1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea (PubChem CID 23167542) has the molecular formula C26H27N3O3S and a molecular weight of 461.59 g/mol. Its IUPAC name is 1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea
PubChem CID23167542
Molecular FormulaC26H27N3O3S
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea
SMILESCCC(OC)(c1cc(OCc2ccc3ccccc3c2)cc(N(C)C(N)=O)c1)c1nccs1
InChIInChI=1S/C26H27N3O3S/c1-4-26(31-3,24-28-11-12-33-24)21-14-22(29(2)25(27)30)16-23(15-21)32-17-18-9-10-19-7-5-6-8-20(19)13-18/h5-16H,4,17H2,1-3H3,(H2,27,30)
InChIKeyHFSWICJQMZBHJZ-UHFFFAOYSA-N
XLogP5.69
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.59
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea 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-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea?
The IUPAC name of 1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea (CID 23167542) is 1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea.
What is the SMILES notation for 1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea?
The canonical SMILES for 1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea is CCC(OC)(c1cc(OCc2ccc3ccccc3c2)cc(N(C)C(N)=O)c1)c1nccs1.
What is the InChIKey of 1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea?
The InChIKey is HFSWICJQMZBHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3S/c1-4-26(31-3,24-28-11-12-33-24)21-14-22(29(2)25(27)30)16-23(15-21)32-17-18-9-10-19-7-5-6-8-20(19)13-18/h5-16H,4,17H2,1-3H3,(H2,27,30).
What are the key properties of 1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea?
1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea has a molecular weight of 461.59 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-methoxy-1-(1,3-thiazol-2-yl)propyl]-5-(naphthalen-2-ylmethoxy)phenyl]-1-methylurea is sourced from PubChem (CID 23167542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).