2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide

C21H26FN3O2S — CID 53035394

IUPAC2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide
SMILESCCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1
InChIInChI=1S/C21H26FN3O2S/c1-3-10-23-18(26)13-15-8-11-25(12-9-15)21(27)19-14(2)24-20(28-19)16-4-6-17(22)7-5-16/h4-7,15H,3,8-13H2,1-2H3,(H,23,26)
InChIKeyOMNCEQCQOGAEMZ-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.03
Rot. Bonds6

About 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide

2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide (PubChem CID 53035394) has the molecular formula C21H26FN3O2S and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide
PubChem CID53035394
Molecular FormulaC21H26FN3O2S
Molecular Weight403.52 g/mol
Exact Mass403.17
IUPAC Name2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide
SMILESCCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1
InChIInChI=1S/C21H26FN3O2S/c1-3-10-23-18(26)13-15-8-11-25(12-9-15)21(27)19-14(2)24-20(28-19)16-4-6-17(22)7-5-16/h4-7,15H,3,8-13H2,1-2H3,(H,23,26)
InChIKeyOMNCEQCQOGAEMZ-UHFFFAOYSA-N
XLogP4.03
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetamide
CID 53103705
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 53103700
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]acetamide
CID 93061141
N-butyl-2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53035385
2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 53103598
ethyl 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate
CID 42581499
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108
2-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 53010074
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 53103646
[4-(ethylaminomethyl)piperidin-1-yl]-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methanone
CID 119644418
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177854
2-[1-[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]acetic acid
CID 119178283

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide (CID 53035394) is 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide is CCCNC(=O)CC1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide?
The InChIKey is OMNCEQCQOGAEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2S/c1-3-10-23-18(26)13-15-8-11-25(12-9-15)21(27)19-14(2)24-20(28-19)16-4-6-17(22)7-5-16/h4-7,15H,3,8-13H2,1-2H3,(H,23,26).
What are the key properties of 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide?
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide has a molecular weight of 403.52 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-N-propylacetamide is sourced from PubChem (CID 53035394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).