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

C14H22N2OS — CID 65286872

IUPAC1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N2CCCC(C)(C)CC2)nc1C
InChIInChI=1S/C14H22N2OS/c1-10-12(11(2)17)18-13(15-10)16-8-5-6-14(3,4)7-9-16/h5-9H2,1-4H3
InChIKeyKIDNHKQHIFDKHU-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.67
Rot. Bonds2

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

1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 65286872) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID65286872
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N2CCCC(C)(C)CC2)nc1C
InChIInChI=1S/C14H22N2OS/c1-10-12(11(2)17)18-13(15-10)16-8-5-6-14(3,4)7-9-16/h5-9H2,1-4H3
InChIKeyKIDNHKQHIFDKHU-UHFFFAOYSA-N
XLogP3.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-chloro-2-(4,4-dimethylazepan-1-yl)-1,3-thiazole-5-carboxylate
CID 65281664
1-[2-(4-ethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750988
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 115562385
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 79937420
1-[2-(4-butan-2-ylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 55116728
methyl 2-(azocan-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 80570330
4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63626853
5-(4,4-dimethylazepan-1-yl)-3-methyl-1,2,4-thiadiazole
CID 133323324
[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 62930158
1-[4-methyl-2-(3-morpholin-4-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]ethanone
CID 63168028
1-[3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophen-2-yl]ethanone
CID 103422782
[2-(4,4-dimethylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79400188

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone (CID 65286872) is 1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N2CCCC(C)(C)CC2)nc1C.
What is the InChIKey of 1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is KIDNHKQHIFDKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-12(11(2)17)18-13(15-10)16-8-5-6-14(3,4)7-9-16/h5-9H2,1-4H3.
What are the key properties of 1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 266.41 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethylazepan-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 65286872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).