(2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide

C15H17FN4O3S — CID 94813431

IUPAC(2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)n1ccnc1
InChIInChI=1S/C15H17FN4O3S/c1-11(19-7-5-17-10-19)15(21)18-14-9-12(3-4-13(14)16)20-6-2-8-24(20,22)23/h3-5,7,9-11H,2,6,8H2,1H3,(H,18,21)/t11-/m1/s1
InChIKeyLMJXPKUNUPOMJQ-LLVKDONJSA-N
MW352.39 g/mol
LogP1.76
Rot. Bonds4

About (2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide

(2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide (PubChem CID 94813431) has the molecular formula C15H17FN4O3S and a molecular weight of 352.39 g/mol. Its IUPAC name is (2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide
PubChem CID94813431
Molecular FormulaC15H17FN4O3S
Molecular Weight352.39 g/mol
Exact Mass352.10
IUPAC Name(2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide
SMILESC[C@H](C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)n1ccnc1
InChIInChI=1S/C15H17FN4O3S/c1-11(19-7-5-17-10-19)15(21)18-14-9-12(3-4-13(14)16)20-6-2-8-24(20,22)23/h3-5,7,9-11H,2,6,8H2,1H3,(H,18,21)/t11-/m1/s1
InChIKeyLMJXPKUNUPOMJQ-LLVKDONJSA-N
XLogP1.76
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide (CID 94813431) is (2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide is C[C@H](C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1F)n1ccnc1.
What is the InChIKey of (2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide?
The InChIKey is LMJXPKUNUPOMJQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17FN4O3S/c1-11(19-7-5-17-10-19)15(21)18-14-9-12(3-4-13(14)16)20-6-2-8-24(20,22)23/h3-5,7,9-11H,2,6,8H2,1H3,(H,18,21)/t11-/m1/s1.
What are the key properties of (2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide?
(2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide has a molecular weight of 352.39 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 94813431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).