[4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone

C20H26FN3OS — CID 119644418

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCCNCC1CCN(C(=O)c2sc(Cc3ccc(F)cc3)nc2C)CC1
InChIInChI=1S/C20H26FN3OS/c1-3-22-13-16-8-10-24(11-9-16)20(25)19-14(2)23-18(26-19)12-15-4-6-17(21)7-5-15/h4-7,16,22H,3,8-13H2,1-2H3
InChIKeyWDMCEJHBTATACW-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.64
Rot. Bonds6

About [4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone

[4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone (PubChem CID 119644418) has the molecular formula C20H26FN3OS and a molecular weight of 375.51 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
PubChem CID119644418
Molecular FormulaC20H26FN3OS
Molecular Weight375.51 g/mol
Exact Mass375.18
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCCNCC1CCN(C(=O)c2sc(Cc3ccc(F)cc3)nc2C)CC1
InChIInChI=1S/C20H26FN3OS/c1-3-22-13-16-8-10-24(11-9-16)20(25)19-14(2)23-18(26-19)12-15-4-6-17(21)7-5-15/h4-7,16,22H,3,8-13H2,1-2H3
InChIKeyWDMCEJHBTATACW-UHFFFAOYSA-N
XLogP3.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid
CID 119178283
[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-thiomorpholin-4-ylmethanone
CID 56815929
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 103807604
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
CID 55651094
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide
CID 53035394
N-[(4-ethylphenyl)methyl]-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
CID 53103705
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559983
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39892162
(2R)-1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 124695438
[2-(aminomethyl)pyrrolidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
CID 119631136
(3R)-1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695453
1-[4-(2-ethyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 49377676

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone (CID 119644418) is [4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone is CCNCC1CCN(C(=O)c2sc(Cc3ccc(F)cc3)nc2C)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone?
The InChIKey is WDMCEJHBTATACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3OS/c1-3-22-13-16-8-10-24(11-9-16)20(25)19-14(2)23-18(26-19)12-15-4-6-17(21)7-5-15/h4-7,16,22H,3,8-13H2,1-2H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone has a molecular weight of 375.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 119644418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).