N-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine

C12H20N2OS — CID 115893053

IUPACN-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCC(NCC1(C)CCOCC1)c1cncs1
InChIInChI=1S/C12H20N2OS/c1-10(11-7-13-9-16-11)14-8-12(2)3-5-15-6-4-12/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyMMRWUYXEKNDSLY-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.61
Rot. Bonds4

About N-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine

N-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine (PubChem CID 115893053) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
PubChem CID115893053
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
SMILESCC(NCC1(C)CCOCC1)c1cncs1
InChIInChI=1S/C12H20N2OS/c1-10(11-7-13-9-16-11)14-8-12(2)3-5-15-6-4-12/h7,9-10,14H,3-6,8H2,1-2H3
InChIKeyMMRWUYXEKNDSLY-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[(1S)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]-3-(oxan-4-yl)propan-1-amine
CID 97103233
N-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783324
N-[oxan-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783325
N-methyl-1-(oxan-4-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 113876722
N-[(2-methoxy-1,3-thiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine
CID 16494816
N-[(2-ethoxy-1,3-thiazol-5-yl)methyl]-2-(oxan-4-yl)ethanamine
CID 16494852
N-[1-[2-(oxan-4-yl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 55102643
N-[[4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methyl]ethanamine
CID 55144639
2-methyl-N-[[4-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 55144640
N-[(2-methyl-1,3-thiazol-5-yl)methyl]oxan-4-amine
CID 60941989
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]oxan-4-amine
CID 60982154
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]oxan-4-amine
CID 61686948

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine (CID 115893053) is N-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine is CC(NCC1(C)CCOCC1)c1cncs1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is MMRWUYXEKNDSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10(11-7-13-9-16-11)14-8-12(2)3-5-15-6-4-12/h7,9-10,14H,3-6,8H2,1-2H3.
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine?
N-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 115893053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).