1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone

C11H17N3OS — CID 62758882

IUPAC1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cncs2)CC1
InChIInChI=1S/C11H17N3OS/c1-9(15)14-4-2-10(3-5-14)13-7-11-6-12-8-16-11/h6,8,10,13H,2-5,7H2,1H3
InChIKeyWHUTXVJLWRXHAI-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.24
Rot. Bonds3

About 1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone

1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone (PubChem CID 62758882) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone
PubChem CID62758882
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cncs2)CC1
InChIInChI=1S/C11H17N3OS/c1-9(15)14-4-2-10(3-5-14)13-7-11-6-12-8-16-11/h6,8,10,13H,2-5,7H2,1H3
InChIKeyWHUTXVJLWRXHAI-UHFFFAOYSA-N
XLogP1.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone with MolForge

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Related Compounds

tert-Butyl 4-(methyl(thiazol-5-ylmethyl)amino)piperidine-1-carboxylate
CID 71647472
1-(1-Cyclopentylpiperidin-4-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 72106165
1-[3-[(2-Cyclobutyl-1,3-thiazol-5-yl)methylamino]propyl]piperidin-2-one
CID 75380796
N-[(1,3-thiazol-5-yl)methyl]acetamide
CID 59473071
1-[1-(1,3-Thiazol-5-ylmethyl)piperidin-4-yl]imidazolidin-2-one
CID 134789042
3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one
CID 134795506
1-[4-[(2-Tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]propan-1-one
CID 71927393
1-[3,3-Dimethyl-4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
CID 75500701
2-cyclohexyl-N-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]acetamide
CID 84593551
N-[1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide
CID 132287399
N-((1r,4r)-4-aminocyclohexyl)thiazole-5-carboxamide
CID 108041300
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)thiazole-5-carboxamide
CID 132227731

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone (CID 62758882) is 1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NCc2cncs2)CC1.
What is the InChIKey of 1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone?
The InChIKey is WHUTXVJLWRXHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-9(15)14-4-2-10(3-5-14)13-7-11-6-12-8-16-11/h6,8,10,13H,2-5,7H2,1H3.
What are the key properties of 1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone?
1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone has a molecular weight of 239.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 62758882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).