1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine

C12H20N2OS — CID 106815881

IUPAC1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine
SMILESCCOCCc1nc(CC2(N)CCC2)cs1
InChIInChI=1S/C12H20N2OS/c1-2-15-7-4-11-14-10(9-16-11)8-12(13)5-3-6-12/h9H,2-8,13H2,1H3
InChIKeyZXBSFTBXSNQSRP-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.15
Rot. Bonds6

About 1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine

1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine (PubChem CID 106815881) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine
PubChem CID106815881
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine
SMILESCCOCCc1nc(CC2(N)CCC2)cs1
InChIInChI=1S/C12H20N2OS/c1-2-15-7-4-11-14-10(9-16-11)8-12(13)5-3-6-12/h9H,2-8,13H2,1H3
InChIKeyZXBSFTBXSNQSRP-UHFFFAOYSA-N
XLogP2.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 106815851
4-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]oxan-4-amine
CID 106815894
2-[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]-N-ethylpropan-1-amine
CID 106815876
4-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazole
CID 103151266
[4-(ethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62445438
(2-propyl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 50944167
1-[(2-propyl-1,3-thiazol-4-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168163
N-ethyl-1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 102929669
[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 103150149
4-[(3-methylpiperidin-3-yl)oxymethyl]-2-propyl-1,3-thiazole
CID 107385776
N-ethyl-1-[2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 103151298
2-(2-aminoethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638800

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine (CID 106815881) is 1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine is CCOCCc1nc(CC2(N)CCC2)cs1.
What is the InChIKey of 1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine?
The InChIKey is ZXBSFTBXSNQSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-15-7-4-11-14-10(9-16-11)8-12(13)5-3-6-12/h9H,2-8,13H2,1H3.
What are the key properties of 1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine?
1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-ethoxyethyl)-1,3-thiazol-4-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 106815881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).