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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Related Compounds

4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120903826
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 120902801
5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897558
1-(3-fluorophenyl)-4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-2-one
CID 120905183
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
4-[(5-fluoro-2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 122138686
5-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine
CID 120900283
1-(3-aminophenyl)-4-ethylpiperazin-2-one
CID 67479009
[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 120902661
5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902080
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902713

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).