N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine

C12H20N2OS — CID 115684441

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCCc1ncc(CNC(C)C2CCOC2)s1
InChIInChI=1S/C12H20N2OS/c1-3-12-14-7-11(16-12)6-13-9(2)10-4-5-15-8-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyYSSORKRGRFEJQP-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.22
Rot. Bonds5

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115684441) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
PubChem CID115684441
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCCc1ncc(CNC(C)C2CCOC2)s1
InChIInChI=1S/C12H20N2OS/c1-3-12-14-7-11(16-12)6-13-9(2)10-4-5-15-8-10/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyYSSORKRGRFEJQP-UHFFFAOYSA-N
XLogP2.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769057
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655281
N-[(3-ethylthiophen-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115727626
N-[(3-methylimidazol-4-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655308
1-cyclopentyl-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 115724938
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 113262339
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768994
N-[(1-methylimidazol-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655247
1-cyclopropyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-phenylmethanamine
CID 54883334
N-[(5-ethyl-2-pyridinyl)methyl]-1-(oxan-3-yl)ethanamine
CID 122151355
1-(oxolan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 103700538
5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine
CID 118958251

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine (CID 115684441) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine is CCc1ncc(CNC(C)C2CCOC2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is YSSORKRGRFEJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-12-14-7-11(16-12)6-13-9(2)10-4-5-15-8-10/h7,9-10,13H,3-6,8H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115684441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).