1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone

C14H22N2OS — CID 82122870

IUPAC1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C(C)N2CCC(C)CC2)nc1C
InChIInChI=1S/C14H22N2OS/c1-9-5-7-16(8-6-9)11(3)14-15-10(2)13(18-14)12(4)17/h9,11H,5-8H2,1-4H3
InChIKeyQTXXBKRODPCVRV-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.45
Rot. Bonds3

About 1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 82122870) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone
PubChem CID82122870
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C(C)N2CCC(C)CC2)nc1C
InChIInChI=1S/C14H22N2OS/c1-9-5-7-16(8-6-9)11(3)14-15-10(2)13(18-14)12(4)17/h9,11H,5-8H2,1-4H3
InChIKeyQTXXBKRODPCVRV-UHFFFAOYSA-N
XLogP3.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-(1-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]ethanone
CID 82117127
4-cyclopropyl-2-(1-piperazin-1-ylethyl)-1,3-thiazole-5-carboxylic acid
CID 114358774
1-[4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]ethanone
CID 56812669
1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone
CID 112681607
3-(4-methylpiperidin-1-yl)butan-2-one
CID 43228138
4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46452899
1-[2-(4-butan-2-ylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 55116728
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881
(2S)-1-[2-[(1S)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 124688096
1-[4-methyl-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82427688
1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 82427476
5-acetyl-4-methyl-1,3-thiazole-2-carboxylic acid
CID 130676708

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone (CID 82122870) is 1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(C(C)N2CCC(C)CC2)nc1C.
What is the InChIKey of 1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is QTXXBKRODPCVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-9-5-7-16(8-6-9)11(3)14-15-10(2)13(18-14)12(4)17/h9,11H,5-8H2,1-4H3.
What are the key properties of 1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 266.41 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[1-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82122870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).