1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide

C12H18N4O2S — CID 66375876

IUPAC1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C12H18N4O2S/c1-14-11(17)8-2-4-16(5-3-8)12(18)9-7-19-10(6-13)15-9/h7-8H,2-6,13H2,1H3,(H,14,17)
InChIKeyXTVJOONVKCBXQP-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.20
Rot. Bonds3

About 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide

1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide (PubChem CID 66375876) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
PubChem CID66375876
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(=O)c2csc(CN)n2)CC1
InChIInChI=1S/C12H18N4O2S/c1-14-11(17)8-2-4-16(5-3-8)12(18)9-7-19-10(6-13)15-9/h7-8H,2-6,13H2,1H3,(H,14,17)
InChIKeyXTVJOONVKCBXQP-UHFFFAOYSA-N
XLogP0.20
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-2-methylpropanamide
CID 66377271
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethoxypiperidin-1-yl)methanone
CID 66375737
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-ethenylpiperidin-1-yl)methanone
CID 119783247
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 66379644
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 119755496
N-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 113402246
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103532978
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-tert-butylazepan-1-yl)methanone;hydrochloride
CID 119787768
[2-(aminomethyl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 66376431
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220790
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(cyclopropylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119855927
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4,4-diethylpiperidin-1-yl)methanone
CID 66379253

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide (CID 66375876) is 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(=O)c2csc(CN)n2)CC1.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is XTVJOONVKCBXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-14-11(17)8-2-4-16(5-3-8)12(18)9-7-19-10(6-13)15-9/h7-8H,2-6,13H2,1H3,(H,14,17).
What are the key properties of 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide?
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 66375876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).