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

C12H18N2OS — CID 82515560

IUPAC1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CN2CCCCC2C)n1
InChIInChI=1S/C12H18N2OS/c1-9-5-3-4-6-14(9)7-12-13-11(8-16-12)10(2)15/h8-9H,3-7H2,1-2H3
InChIKeyGVWYHZQDTLUBSX-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.72
Rot. Bonds3

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

1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone (PubChem CID 82515560) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone
PubChem CID82515560
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(CN2CCCCC2C)n1
InChIInChI=1S/C12H18N2OS/c1-9-5-3-4-6-14(9)7-12-13-11(8-16-12)10(2)15/h8-9H,3-7H2,1-2H3
InChIKeyGVWYHZQDTLUBSX-UHFFFAOYSA-N
XLogP2.72
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 82427476
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
5-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82515566
4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227364
2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboximidamide
CID 82515309
2-acetamido-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 53499370
1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 115088763
1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanone
CID 115088622
2-chloro-4-[(2-methylazepan-1-yl)methyl]-1,3-thiazole
CID 130552539
2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82439419
1-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-4-yl]ethanone
CID 82751506
5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397908

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone (CID 82515560) is 1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(CN2CCCCC2C)n1.
What is the InChIKey of 1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone?
The InChIKey is GVWYHZQDTLUBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-5-3-4-6-14(9)7-12-13-11(8-16-12)10(2)15/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone?
1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone has a molecular weight of 238.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 82515560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).