1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C11H16N2O2S — CID 116604713

IUPAC1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)C2(N)CCOCC2)n1
InChIInChI=1S/C11H16N2O2S/c1-8-7-16-10(13-8)6-9(14)11(12)2-4-15-5-3-11/h7H,2-6,12H2,1H3
InChIKeyVYXUCXGUQDSSEM-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.07
Rot. Bonds3

About 1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 116604713) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID116604713
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)C2(N)CCOCC2)n1
InChIInChI=1S/C11H16N2O2S/c1-8-7-16-10(13-8)6-9(14)11(12)2-4-15-5-3-11/h7H,2-6,12H2,1H3
InChIKeyVYXUCXGUQDSSEM-UHFFFAOYSA-N
XLogP1.07
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116591347
1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 106829673
1-(1-ethylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789251
1-(1-ethoxycycloheptyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116750853
1-(2-amino-1-methylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116607345
1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116748212
1-(4-aminooxan-4-yl)-2-(thiadiazol-4-yl)ethanone
CID 130550562
1-(1-ethoxy-4-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116749499
4-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]oxane-4-carboxylic acid
CID 115293009
1-[1-(aminomethyl)cyclohexyl]-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116614454
CID 131842856
CID 131842856
1-(4-aminooxan-4-yl)-2-quinolin-2-ylethanone
CID 116604768

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 116604713) is 1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)C2(N)CCOCC2)n1.
What is the InChIKey of 1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is VYXUCXGUQDSSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-7-16-10(13-8)6-9(14)11(12)2-4-15-5-3-11/h7H,2-6,12H2,1H3.
What are the key properties of 1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 240.33 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 116604713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).