[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone

C13H21N3OS — CID 114593147

IUPAC[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2csc(CN)n2)C1
InChIInChI=1S/C13H21N3OS/c1-8-4-9(2)10(3)16(6-8)13(17)11-7-18-12(5-14)15-11/h7-10H,4-6,14H2,1-3H3
InChIKeyIYSUENXRCFMEFW-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.11
Rot. Bonds2

About [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114593147) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114593147
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2csc(CN)n2)C1
InChIInChI=1S/C13H21N3OS/c1-8-4-9(2)10(3)16(6-8)13(17)11-7-18-12(5-14)15-11/h7-10H,4-6,14H2,1-3H3
InChIKeyIYSUENXRCFMEFW-UHFFFAOYSA-N
XLogP2.11
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119791905
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 119797155
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
[2-(aminomethyl)-1,3-thiazol-4-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220790
1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 66378244
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114594475
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[(2S,3R)-2,3-dimethylpiperidin-1-yl]methanone
CID 124515136
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119774202
[1-(2-aminoethyl)imidazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107499855
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2,6-dimethylazepan-1-yl)methanone;hydrochloride
CID 120634134
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone;hydrochloride
CID 119694088
[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114594691

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114593147) is [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone is CC1CC(C)C(C)N(C(=O)c2csc(CN)n2)C1.
What is the InChIKey of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is IYSUENXRCFMEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-8-4-9(2)10(3)16(6-8)13(17)11-7-18-12(5-14)15-11/h7-10H,4-6,14H2,1-3H3.
What are the key properties of [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone?
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 267.40 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1,3-thiazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114593147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).