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

C15H18FN3O2S — CID 71990395

IUPAC1-[2-(2-fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)NCC(C)Oc2ccccc2F)s1
InChIInChI=1S/C15H18FN3O2S/c1-10(21-14-6-4-3-5-13(14)16)7-18-15(20)19-9-12-8-17-11(2)22-12/h3-6,8,10H,7,9H2,1-2H3,(H2,18,19,20)
InChIKeyMNEJCBIUFRBGCP-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.86
Rot. Bonds6

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

1-[2-(2-fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 71990395) has the molecular formula C15H18FN3O2S and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID71990395
Molecular FormulaC15H18FN3O2S
Molecular Weight323.39 g/mol
Exact Mass323.11
IUPAC Name1-[2-(2-fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncc(CNC(=O)NCC(C)Oc2ccccc2F)s1
InChIInChI=1S/C15H18FN3O2S/c1-10(21-14-6-4-3-5-13(14)16)7-18-15(20)19-9-12-8-17-11(2)22-12/h3-6,8,10H,7,9H2,1-2H3,(H2,18,19,20)
InChIKeyMNEJCBIUFRBGCP-UHFFFAOYSA-N
XLogP2.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[2-(2-fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 71990395) is 1-[2-(2-fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[2-(2-fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncc(CNC(=O)NCC(C)Oc2ccccc2F)s1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is MNEJCBIUFRBGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2S/c1-10(21-14-6-4-3-5-13(14)16)7-18-15(20)19-9-12-8-17-11(2)22-12/h3-6,8,10H,7,9H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-[2-(2-fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[2-(2-fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 323.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)propyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 71990395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).