1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine

C11H18N2OS — CID 46785237

IUPAC1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCc1cnc(C(C)NCC2CCCO2)s1
InChIInChI=1S/C11H18N2OS/c1-8-6-13-11(15-8)9(2)12-7-10-4-3-5-14-10/h6,9-10,12H,3-5,7H2,1-2H3
InChIKeyFSBGDLXULYQOSY-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.28
Rot. Bonds4

About 1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine

1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 46785237) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID46785237
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCc1cnc(C(C)NCC2CCCO2)s1
InChIInChI=1S/C11H18N2OS/c1-8-6-13-11(15-8)9(2)12-7-10-4-3-5-14-10/h6,9-10,12H,3-5,7H2,1-2H3
InChIKeyFSBGDLXULYQOSY-UHFFFAOYSA-N
XLogP2.28
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
CID 91636055
2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]oxolan-3-amine
CID 115920919
1-(5-methyl-1,3-thiazol-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 104213717
3,3-Difluoro-5-[[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]methyl]oxolan-2-one
CID 106492861
Ethane;2-methoxy-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 178775326
(Oxolan-2-ylmethyl)(1,3-thiazol-5-ylmethyl)amine
CID 16494772
N-[(2-methoxy-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 16494802
N-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 16494838
(5-Methyl-1,3-thiazol-2-yl)-(oxolan-3-yl)methanamine
CID 43559015
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 46784196
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)ethanamine
CID 46784197
2-methoxy-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 46784200

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 46785237) is 1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine is Cc1cnc(C(C)NCC2CCCO2)s1.
What is the InChIKey of 1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is FSBGDLXULYQOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-6-13-11(15-8)9(2)12-7-10-4-3-5-14-10/h6,9-10,12H,3-5,7H2,1-2H3.
What are the key properties of 1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 226.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 46785237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).