4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one

C14H15FN4OS — CID 120905181

IUPAC4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one
SMILESNc1ncc(CN2CCN(c3cccc(F)c3)C(=O)C2)s1
InChIInChI=1S/C14H15FN4OS/c15-10-2-1-3-11(6-10)19-5-4-18(9-13(19)20)8-12-7-17-14(16)21-12/h1-3,6-7H,4-5,8-9H2,(H2,16,17)
InChIKeyCXNMGGKRHYQCKL-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.71
Rot. Bonds3

About 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one

4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one (PubChem CID 120905181) has the molecular formula C14H15FN4OS and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one
PubChem CID120905181
Molecular FormulaC14H15FN4OS
Molecular Weight306.37 g/mol
Exact Mass306.10
IUPAC Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one
SMILESNc1ncc(CN2CCN(c3cccc(F)c3)C(=O)C2)s1
InChIInChI=1S/C14H15FN4OS/c15-10-2-1-3-11(6-10)19-5-4-18(9-13(19)20)8-12-7-17-14(16)21-12/h1-3,6-7H,4-5,8-9H2,(H2,16,17)
InChIKeyCXNMGGKRHYQCKL-UHFFFAOYSA-N
XLogP1.71
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one?
The IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one (CID 120905181) is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one.
What is the SMILES notation for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one?
The canonical SMILES for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one is Nc1ncc(CN2CCN(c3cccc(F)c3)C(=O)C2)s1.
What is the InChIKey of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one?
The InChIKey is CXNMGGKRHYQCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4OS/c15-10-2-1-3-11(6-10)19-5-4-18(9-13(19)20)8-12-7-17-14(16)21-12/h1-3,6-7H,4-5,8-9H2,(H2,16,17).
What are the key properties of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one?
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one has a molecular weight of 306.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one is sourced from PubChem (CID 120905181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).