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

C12H20N2OS — CID 115777981

IUPACN-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncc(C(C)NCC2(C)CCCO2)s1
InChIInChI=1S/C12H20N2OS/c1-9(11-7-13-10(2)16-11)14-8-12(3)5-4-6-15-12/h7,9,14H,4-6,8H2,1-3H3
InChIKeyWVBPVJYGQGZJBW-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.67
Rot. Bonds4

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

N-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 115777981) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID115777981
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncc(C(C)NCC2(C)CCCO2)s1
InChIInChI=1S/C12H20N2OS/c1-9(11-7-13-10(2)16-11)14-8-12(3)5-4-6-15-12/h7,9,14H,4-6,8H2,1-3H3
InChIKeyWVBPVJYGQGZJBW-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopentylmethyl)-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777843
N-[(2-methylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115777850
1-(3-bromofuran-2-yl)-N-[(2-methyloxolan-2-yl)methyl]ethanamine
CID 115727604
N',N'-diethyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
CID 115777798
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 75471357
2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine
CID 97103233
N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 115727592
N-[2-(2-methylprop-2-enoxy)ethyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115894187
2-methyl-2-methylsulfanyl-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115777972
2-[1-(2-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 115777969
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115891764
4-ethoxy-N-[1-(2-methyl-1,3-thiazol-5-yl)ethyl]butan-1-amine
CID 115777834

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine (CID 115777981) is N-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncc(C(C)NCC2(C)CCCO2)s1.
What is the InChIKey of N-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is WVBPVJYGQGZJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(11-7-13-10(2)16-11)14-8-12(3)5-4-6-15-12/h7,9,14H,4-6,8H2,1-3H3.
What are the key properties of N-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine?
N-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-2-yl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 115777981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).