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

C13H20N2OS2 — CID 110849075

IUPAC2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCSc1nc(C)c(CC(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C13H20N2OS2/c1-9-4-6-15(7-5-9)12(16)8-11-10(2)14-13(17-3)18-11/h9H,4-8H2,1-3H3
InChIKeyTXTZGMLDNVNPMN-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.97
Rot. Bonds3

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

2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 110849075) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID110849075
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC Name2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
SMILESCSc1nc(C)c(CC(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C13H20N2OS2/c1-9-4-6-15(7-5-9)12(16)8-11-10(2)14-13(17-3)18-11/h9H,4-8H2,1-3H3
InChIKeyTXTZGMLDNVNPMN-UHFFFAOYSA-N
XLogP2.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110848615
2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110680009
2-[2-(cyclohexylmethylamino)-4-hydroxy-1,3-thiazol-5-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 91368361
4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)acetyl]piperazine-1-carbaldehyde
CID 110328771
2-(2-amino-4-thiophen-2-yl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 28714175
2-[2-[(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 100842423
2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
CID 110329331
1-(4-methylpiperidin-1-yl)-2-(2,4,6-trifluorophenyl)ethanone
CID 110487580
N-[4-methyl-5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 108726673
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
2-(2,6-difluorophenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 118398596
1-(4-benzylpiperidin-1-yl)-2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 110374604

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone (CID 110849075) is 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone is CSc1nc(C)c(CC(=O)N2CCC(C)CC2)s1.
What is the InChIKey of 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is TXTZGMLDNVNPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-9-4-6-15(7-5-9)12(16)8-11-10(2)14-13(17-3)18-11/h9H,4-8H2,1-3H3.
What are the key properties of 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone?
2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 284.45 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110849075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).