[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone

C12H19N3O2S — CID 66375737

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C12H19N3O2S/c1-2-17-9-3-5-15(6-4-9)12(16)10-8-18-11(7-13)14-10/h8-9H,2-7,13H2,1H3
InChIKeyWNYCOFILXVVNTI-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.24
Rot. Bonds4

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone (PubChem CID 66375737) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone
PubChem CID66375737
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCN(C(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C12H19N3O2S/c1-2-17-9-3-5-15(6-4-9)12(16)10-8-18-11(7-13)14-10/h8-9H,2-7,13H2,1H3
InChIKeyWNYCOFILXVVNTI-UHFFFAOYSA-N
XLogP1.24
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103532978
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 66375876
2-[1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]oxyacetic acid
CID 66388408
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethenylpiperidin-1-yl)methanone
CID 119783247
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(4-fluorophenoxy)piperidin-1-yl]methanone;hydrochloride
CID 119758493
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66379644
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119855927
N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-methylpropanamide
CID 66377271
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66379253
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-tert-butylazepan-1-yl)methanone;hydrochloride
CID 119787768
(2-amino-1,3-thiazol-4-yl)-[4-(2-ethoxyethoxy)piperidin-1-yl]methanone
CID 62788073
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone (CID 66375737) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone is CCOC1CCN(C(=O)c2csc(CN)n2)CC1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone?
The InChIKey is WNYCOFILXVVNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-17-9-3-5-15(6-4-9)12(16)10-8-18-11(7-13)14-10/h8-9H,2-7,13H2,1H3.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone has a molecular weight of 269.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 66375737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).