1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea

C16H22FN3O2S — CID 42814572

IUPAC1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)CCN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C16H22FN3O2S/c1-11(2)18-16(22)19(3)8-9-20-14(21)10-23-15(20)12-4-6-13(17)7-5-12/h4-7,11,15H,8-10H2,1-3H3,(H,18,22)
InChIKeyWPNISPKSSNAZGW-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.45
Rot. Bonds5

About 1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea

1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea (PubChem CID 42814572) has the molecular formula C16H22FN3O2S and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea
PubChem CID42814572
Molecular FormulaC16H22FN3O2S
Molecular Weight339.44 g/mol
Exact Mass339.14
IUPAC Name1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)N(C)CCN1C(=O)CSC1c1ccc(F)cc1
InChIInChI=1S/C16H22FN3O2S/c1-11(2)18-16(22)19(3)8-9-20-14(21)10-23-15(20)12-4-6-13(17)7-5-12/h4-7,11,15H,8-10H2,1-3H3,(H,18,22)
InChIKeyWPNISPKSSNAZGW-UHFFFAOYSA-N
XLogP2.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea?
The IUPAC name of 1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea (CID 42814572) is 1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea?
The canonical SMILES for 1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea is CC(C)NC(=O)N(C)CCN1C(=O)CSC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea?
The InChIKey is WPNISPKSSNAZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2S/c1-11(2)18-16(22)19(3)8-9-20-14(21)10-23-15(20)12-4-6-13(17)7-5-12/h4-7,11,15H,8-10H2,1-3H3,(H,18,22).
What are the key properties of 1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea?
1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea has a molecular weight of 339.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1-methyl-3-propan-2-ylurea is sourced from PubChem (CID 42814572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).