2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine

C12H20N2OS — CID 105019956

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine
SMILESCc1nc(CC(N)C2CCOC2C)sc1C
InChIInChI=1S/C12H20N2OS/c1-7-9(3)16-12(14-7)6-11(13)10-4-5-15-8(10)2/h8,10-11H,4-6,13H2,1-3H3
InChIKeyMKLMPEIXZCYCIU-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.05
Rot. Bonds3

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine (PubChem CID 105019956) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine
PubChem CID105019956
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine
SMILESCc1nc(CC(N)C2CCOC2C)sc1C
InChIInChI=1S/C12H20N2OS/c1-7-9(3)16-12(14-7)6-11(13)10-4-5-15-8(10)2/h8,10-11H,4-6,13H2,1-3H3
InChIKeyMKLMPEIXZCYCIU-UHFFFAOYSA-N
XLogP2.05
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methyloxolan-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997936
1-(2-methyloxolan-3-yl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107064153
1-cyclobutyl-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-amine
CID 103169254
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methyloxolan-2-yl)ethanone
CID 115789380
3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine
CID 105028412
1-cyclopropyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanol
CID 65168478
2-cyclobutyl-1-(2-methyloxolan-3-yl)ethanamine
CID 115863835
1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991828
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine
CID 114535497
1-(2-methyloxolan-3-yl)pent-4-yn-1-amine
CID 115859572
1-(4,5-dimethyl-1,3-thiazol-2-yl)pentan-2-amine
CID 65168639
1-(2-methyloxolan-3-yl)decan-1-amine
CID 115831763

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine (CID 105019956) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine is Cc1nc(CC(N)C2CCOC2C)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine?
The InChIKey is MKLMPEIXZCYCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-7-9(3)16-12(14-7)6-11(13)10-4-5-15-8(10)2/h8,10-11H,4-6,13H2,1-3H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105019956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).