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

C12H20N2OS — CID 114534393

IUPACN-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2cncs2)CCOC1C
InChIInChI=1S/C12H20N2OS/c1-3-13-8-12(4-5-15-10(12)2)6-11-7-14-9-16-11/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyLLJKLSJGIAOBPG-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.09
Rot. Bonds5

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

N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine (PubChem CID 114534393) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine
PubChem CID114534393
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine
SMILESCCNCC1(Cc2cncs2)CCOC1C
InChIInChI=1S/C12H20N2OS/c1-3-13-8-12(4-5-15-10(12)2)6-11-7-14-9-16-11/h7,9-10,13H,3-6,8H2,1-2H3
InChIKeyLLJKLSJGIAOBPG-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]propan-1-amine
CID 114534558
5-[[3-(bromomethyl)-2-methyloxolan-3-yl]methyl]-1,3-thiazole
CID 114535901
N-[[2-methyl-3-(thiophen-3-ylmethyl)oxolan-3-yl]methyl]ethanamine
CID 114534386
N-[[3-[(2,6-dichlorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114534364
N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114933904
N-[[3-[(2,4-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114534401
N-[[3-[(4-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]ethanamine
CID 114858971
N-[[2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]oxolan-3-yl]methyl]ethanamine
CID 114534318
N-[[3-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyloxolan-3-yl]methyl]ethanamine
CID 104509700
N-[[3-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534570
N-ethyl-3-methyl-3-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 116539384
2-propyl-4-(1,3-thiazol-5-ylmethyl)oxan-4-ol
CID 112641948

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine (CID 114534393) is N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine is CCNCC1(Cc2cncs2)CCOC1C.
What is the InChIKey of N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine?
The InChIKey is LLJKLSJGIAOBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-13-8-12(4-5-15-10(12)2)6-11-7-14-9-16-11/h7,9-10,13H,3-6,8H2,1-2H3.
What are the key properties of N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine?
N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(1,3-thiazol-5-ylmethyl)oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 114534393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).