1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine

C12H20N2OS — CID 61192868

IUPAC1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1nc(C)c(C(C)NCC2CCOC2)s1
InChIInChI=1S/C12H20N2OS/c1-8(12-9(2)14-10(3)16-12)13-6-11-4-5-15-7-11/h8,11,13H,4-7H2,1-3H3
InChIKeyZXPWVMHQOAWHAF-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.45
Rot. Bonds4

About 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 61192868) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID61192868
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCc1nc(C)c(C(C)NCC2CCOC2)s1
InChIInChI=1S/C12H20N2OS/c1-8(12-9(2)14-10(3)16-12)13-6-11-4-5-15-7-11/h8,11,13H,4-7H2,1-3H3
InChIKeyZXPWVMHQOAWHAF-UHFFFAOYSA-N
XLogP2.45
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531995
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 79236450
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 54963110
N-(azepan-2-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 64569173
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]prop-2-en-1-amine
CID 62141442
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]morpholin-4-amine
CID 83010416
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 115718431
(1R)-1-(4-methoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 81370808
1-(2,5-dimethylfuran-3-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 60919899
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylpiperidin-2-yl)methyl]ethanamine
CID 114430915
1-(4-chlorophenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43202343

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine (CID 61192868) is 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine is Cc1nc(C)c(C(C)NCC2CCOC2)s1.
What is the InChIKey of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is ZXPWVMHQOAWHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(12-9(2)14-10(3)16-12)13-6-11-4-5-15-7-11/h8,11,13H,4-7H2,1-3H3.
What are the key properties of 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine?
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 61192868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).