2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide

C15H17FN4OS — CID 1438328

IUPAC2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C15H17FN4OS/c16-12-3-1-11(2-4-12)13-10-22-15(18-13)20-7-5-19(6-8-20)9-14(17)21/h1-4,10H,5-9H2,(H2,17,21)
InChIKeyIZEKSTWQWPVKEQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.56
Rot. Bonds4

About 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide

2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide (PubChem CID 1438328) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
PubChem CID1438328
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC Name2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
SMILESNC(=O)CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C15H17FN4OS/c16-12-3-1-11(2-4-12)13-10-22-15(18-13)20-7-5-19(6-8-20)9-14(17)21/h1-4,10H,5-9H2,(H2,17,21)
InChIKeyIZEKSTWQWPVKEQ-UHFFFAOYSA-N
XLogP1.56
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide (CID 1438328) is 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide is NC(=O)CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The InChIKey is IZEKSTWQWPVKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS/c16-12-3-1-11(2-4-12)13-10-22-15(18-13)20-7-5-19(6-8-20)9-14(17)21/h1-4,10H,5-9H2,(H2,17,21).
What are the key properties of 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide has a molecular weight of 320.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 1438328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).