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

C13H20N2OS — CID 82427476

IUPAC1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(CN2CCCCC2C)nc1C
InChIInChI=1S/C13H20N2OS/c1-9-6-4-5-7-15(9)8-12-14-10(2)13(17-12)11(3)16/h9H,4-8H2,1-3H3
InChIKeyAYHXUUXZRYSWFQ-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.03
Rot. Bonds3

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

1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 82427476) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone
PubChem CID82427476
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(CN2CCCCC2C)nc1C
InChIInChI=1S/C13H20N2OS/c1-9-6-4-5-7-15(9)8-12-14-10(2)13(17-12)11(3)16/h9H,4-8H2,1-3H3
InChIKeyAYHXUUXZRYSWFQ-UHFFFAOYSA-N
XLogP3.03
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227364
2-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82427472
1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone
CID 82515560
N-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82427463
1-[2-[2-(2-methylpiperidin-1-yl)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82433152
6-acetyl-5-methyl-2-[(2-methylpiperidin-1-yl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 24714818
(4-methylpiperidin-1-yl)-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 110387059
2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82439419
1-[4-methyl-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82427688
1-[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 110387071
1-[2-(cyclohexylsulfonylmethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 82426488
[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 110387320

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone (CID 82427476) is 1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(CN2CCCCC2C)nc1C.
What is the InChIKey of 1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is AYHXUUXZRYSWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-6-4-5-7-15(9)8-12-14-10(2)13(17-12)11(3)16/h9H,4-8H2,1-3H3.
What are the key properties of 1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 252.38 g/mol, XLogP of 3.03, 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-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 82427476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).