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

C15H18ClFN4OS — CID 120903826

IUPAC4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride
SMILESCl.Nc1ncc(CN2CCN(Cc3cccc(F)c3)C(=O)C2)s1
InChIInChI=1S/C15H17FN4OS.ClH/c16-12-3-1-2-11(6-12)8-20-5-4-19(10-14(20)21)9-13-7-18-15(17)22-13;/h1-3,6-7H,4-5,8-10H2,(H2,17,18);1H
InChIKeyYOEBKZOFSUANKS-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.13
Rot. Bonds4

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

4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride (PubChem CID 120903826) has the molecular formula C15H18ClFN4OS and a molecular weight of 356.85 g/mol. Its IUPAC name is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride
PubChem CID120903826
Molecular FormulaC15H18ClFN4OS
Molecular Weight356.85 g/mol
Exact Mass356.09
IUPAC Name4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride
SMILESCl.Nc1ncc(CN2CCN(Cc3cccc(F)c3)C(=O)C2)s1
InChIInChI=1S/C15H17FN4OS.ClH/c16-12-3-1-2-11(6-12)8-20-5-4-19(10-14(20)21)9-13-7-18-15(17)22-13;/h1-3,6-7H,4-5,8-10H2,(H2,17,18);1H
InChIKeyYOEBKZOFSUANKS-UHFFFAOYSA-N
XLogP2.13
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride with MolForge

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Related Compounds

4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)piperazin-2-one
CID 120905181
5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897558
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 120902801
5-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902080
5-[4-[(3-fluorophenyl)methyl]-3-oxopiperazin-1-yl]pyrazine-2-carbonitrile
CID 133484157
1-[(3-fluorophenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-2-one
CID 133353797
4-(2-amino-2-methylpropyl)-1-[(3-chlorophenyl)methyl]piperazin-2-one
CID 120853340
1-[(3-fluorophenyl)methyl]-4-(6-methyl-5-nitro-2-pyridinyl)piperazin-2-one
CID 122137910
4-[2-(3,5-dichlorophenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one
CID 166358962
2-[(2-amino-1,3-thiazol-5-yl)methyl-[(3-fluorophenyl)methyl]amino]ethanol;hydrochloride
CID 120905497
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride?
The IUPAC name of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride (CID 120903826) is 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride is Cl.Nc1ncc(CN2CCN(Cc3cccc(F)c3)C(=O)C2)s1.
What is the InChIKey of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride?
The InChIKey is YOEBKZOFSUANKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS.ClH/c16-12-3-1-2-11(6-12)8-20-5-4-19(10-14(20)21)9-13-7-18-15(17)22-13;/h1-3,6-7H,4-5,8-10H2,(H2,17,18);1H.
What are the key properties of 4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride?
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 2.13, 4 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)methyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 120903826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).