1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone

C21H26FN3OS — CID 119623411

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone
SMILESO=C(Cc1csc(Cc2ccc(F)cc2)n1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C21H26FN3OS/c22-17-5-3-15(4-6-17)11-20-24-19(14-27-20)12-21(26)25-9-7-18(8-10-25)23-13-16-1-2-16/h3-6,14,16,18,23H,1-2,7-13H2
InChIKeyGDWUCGZDGSFPLG-UHFFFAOYSA-N
MW387.52 g/mol
LogP3.41
Rot. Bonds7

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 119623411) has the molecular formula C21H26FN3OS and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone
PubChem CID119623411
Molecular FormulaC21H26FN3OS
Molecular Weight387.52 g/mol
Exact Mass387.18
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone
SMILESO=C(Cc1csc(Cc2ccc(F)cc2)n1)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C21H26FN3OS/c22-17-5-3-15(4-6-17)11-20-24-19(14-27-20)12-21(26)25-9-7-18(8-10-25)23-13-16-1-2-16/h3-6,14,16,18,23H,1-2,7-13H2
InChIKeyGDWUCGZDGSFPLG-UHFFFAOYSA-N
XLogP3.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119540284
2-(2-benzyl-1,3-thiazol-4-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119544059
4-[4-[2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]benzamide
CID 86969118
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119451715
methyl 2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]acetate
CID 94276829
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119471680
1-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119353808
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
2-[4-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 39944903
2-(4-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119623627
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(4-fluorophenyl)sulfonylbutan-1-one
CID 119622399
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone;hydrochloride
CID 119623848

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone (CID 119623411) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone is O=C(Cc1csc(Cc2ccc(F)cc2)n1)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is GDWUCGZDGSFPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3OS/c22-17-5-3-15(4-6-17)11-20-24-19(14-27-20)12-21(26)25-9-7-18(8-10-25)23-13-16-1-2-16/h3-6,14,16,18,23H,1-2,7-13H2.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 387.52 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 119623411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).