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

C15H17FN4OS — CID 861153

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nccs1
InChIInChI=1S/C15H17FN4OS/c16-12-1-3-13(4-2-12)20-8-6-19(7-9-20)11-14(21)18-15-17-5-10-22-15/h1-5,10H,6-9,11H2,(H,17,18,21)
InChIKeyWXGIREMEFHFTRW-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.04
Rot. Bonds4

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

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 861153) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID861153
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nccs1
InChIInChI=1S/C15H17FN4OS/c16-12-1-3-13(4-2-12)20-8-6-19(7-9-20)11-14(21)18-15-17-5-10-22-15/h1-5,10H,6-9,11H2,(H,17,18,21)
InChIKeyWXGIREMEFHFTRW-UHFFFAOYSA-N
XLogP2.04
TPSA48.47 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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-fluoropyridin-2-yl)piperazin-1-yl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71601847
3-(4-Benzyl-piperazin-1-yl)-N-thiazol-2-yl-propionamide
CID 652557
Stk034174
CID 773605
2-[(2-aminophenyl)thio]-N-1,3-thiazol-2-ylacetamide
CID 859493
1-(4-fluorophenyl)-5-oxo-N-(1,3-thiazol-2-yl)-3-pyrrolidinecarboxamide
CID 3154415
1-(2,4-Difluorophenyl)-3-[4-(2-pyridinyl)-2-thiazolyl]urea
CID 4799115
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 603425
N-(Benzylcarbamoyl-methyl)-N'-thiazol-2-yl-N-o-tolyl-succinamide
CID 3205284
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 162353381
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 163368403
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 163368404
2-[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperidin-4-ylidene]-N-phenylacetamide
CID 163368412

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 861153) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nccs1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is WXGIREMEFHFTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS/c16-12-1-3-13(4-2-12)20-8-6-19(7-9-20)11-14(21)18-15-17-5-10-22-15/h1-5,10H,6-9,11H2,(H,17,18,21).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 320.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 861153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).