[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone

C11H16N2O2S — CID 107138416

IUPAC[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone
SMILESCC(N)c1nc(C(=O)C2CCCOC2)cs1
InChIInChI=1S/C11H16N2O2S/c1-7(12)11-13-9(6-16-11)10(14)8-3-2-4-15-5-8/h6-8H,2-5,12H2,1H3
InChIKeyZXJMLWRLDFITIB-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.77
Rot. Bonds3

About [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone (PubChem CID 107138416) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone
PubChem CID107138416
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone
SMILESCC(N)c1nc(C(=O)C2CCCOC2)cs1
InChIInChI=1S/C11H16N2O2S/c1-7(12)11-13-9(6-16-11)10(14)8-3-2-4-15-5-8/h6-8H,2-5,12H2,1H3
InChIKeyZXJMLWRLDFITIB-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(oxan-4-yl)ethanone
CID 116585794
2-(1-aminoethyl)-N-cycloheptyl-N-methyl-1,3-thiazole-4-carboxamide
CID 66390398
(2-methoxy-1,3-thiazol-4-yl)-(oxolan-3-yl)methanone
CID 130571308
2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66388723
2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66388405
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylazepan-1-yl)methanone
CID 104689698
1-[4-(oxolan-3-yl)-1,3-thiazol-2-yl]ethanamine
CID 104749797
(6-methoxypyridazin-3-yl)-(oxan-3-yl)methanone
CID 107136044
2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide
CID 82738962
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495456
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3773363

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone?
The IUPAC name of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone (CID 107138416) is [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone?
The canonical SMILES for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone is CC(N)c1nc(C(=O)C2CCCOC2)cs1.
What is the InChIKey of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone?
The InChIKey is ZXJMLWRLDFITIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7(12)11-13-9(6-16-11)10(14)8-3-2-4-15-5-8/h6-8H,2-5,12H2,1H3.
What are the key properties of [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone?
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone has a molecular weight of 240.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)-1,3-thiazol-4-yl]-(oxan-3-yl)methanone is sourced from PubChem (CID 107138416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).