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

C14H11FN4O2S2 — CID 177198466

IUPAC3-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-thiazol-2-yl)urea
SMILESCN(C(=O)Nc1ncc(Oc2ccc(F)cc2)s1)c1nccs1
InChIInChI=1S/C14H11FN4O2S2/c1-19(14-16-6-7-22-14)13(20)18-12-17-8-11(23-12)21-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,17,18,20)
InChIKeyCJRFCJLQRWISQD-UHFFFAOYSA-N
MW350.40 g/mol
LogP4.20
Rot. Bonds4

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

3-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-thiazol-2-yl)urea (PubChem CID 177198466) has the molecular formula C14H11FN4O2S2 and a molecular weight of 350.40 g/mol. Its IUPAC name is 3-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name3-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-thiazol-2-yl)urea
PubChem CID177198466
Molecular FormulaC14H11FN4O2S2
Molecular Weight350.40 g/mol
Exact Mass350.03
IUPAC Name3-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-thiazol-2-yl)urea
SMILESCN(C(=O)Nc1ncc(Oc2ccc(F)cc2)s1)c1nccs1
InChIInChI=1S/C14H11FN4O2S2/c1-19(14-16-6-7-22-14)13(20)18-12-17-8-11(23-12)21-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,17,18,20)
InChIKeyCJRFCJLQRWISQD-UHFFFAOYSA-N
XLogP4.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-thiazol-2-yl)urea?
The IUPAC name of 3-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-thiazol-2-yl)urea (CID 177198466) is 3-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 3-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 3-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-thiazol-2-yl)urea is CN(C(=O)Nc1ncc(Oc2ccc(F)cc2)s1)c1nccs1.
What is the InChIKey of 3-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-thiazol-2-yl)urea?
The InChIKey is CJRFCJLQRWISQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O2S2/c1-19(14-16-6-7-22-14)13(20)18-12-17-8-11(23-12)21-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,17,18,20).
What are the key properties of 3-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-thiazol-2-yl)urea?
3-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-thiazol-2-yl)urea has a molecular weight of 350.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenoxy)-1,3-thiazol-2-yl]-1-methyl-1-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 177198466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).