N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide

C24H27FN4OS — CID 30040462

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1F
InChIInChI=1S/C24H27FN4OS/c1-18-7-8-19(13-22(18)25)14-26-23(30)16-29-11-9-28(10-12-29)15-21-17-31-24(27-21)20-5-3-2-4-6-20/h2-8,13,17H,9-12,14-16H2,1H3,(H,26,30)
InChIKeyZGCCESDXNYFHTQ-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.69
Rot. Bonds7

About N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide

N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 30040462) has the molecular formula C24H27FN4OS and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID30040462
Molecular FormulaC24H27FN4OS
Molecular Weight438.57 g/mol
Exact Mass438.19
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1F
InChIInChI=1S/C24H27FN4OS/c1-18-7-8-19(13-22(18)25)14-26-23(30)16-29-11-9-28(10-12-29)15-21-17-31-24(27-21)20-5-3-2-4-6-20/h2-8,13,17H,9-12,14-16H2,1H3,(H,26,30)
InChIKeyZGCCESDXNYFHTQ-UHFFFAOYSA-N
XLogP3.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide
CID 30645182
N-benzyl-1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 41415384
N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 41444161
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 55929308
N-(1-methoxypropan-2-yl)-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 134049511
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 36877786
N,N-dimethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 37105671
1-[2-[(3-fluoro-4-methylphenyl)methylamino]-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 42542998
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 35427313
1-[4-[4-[[4-(2-hydrazinyl-2-oxoethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]phenyl]-3-phenylurea
CID 66554017
2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 120703470
N-benzyl-2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33069859

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide (CID 30040462) is N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide is Cc1ccc(CNC(=O)CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is ZGCCESDXNYFHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4OS/c1-18-7-8-19(13-22(18)25)14-26-23(30)16-29-11-9-28(10-12-29)15-21-17-31-24(27-21)20-5-3-2-4-6-20/h2-8,13,17H,9-12,14-16H2,1H3,(H,26,30).
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 438.57 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30040462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).