N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine

C12H20N2OS — CID 107138881

IUPACN-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)n1)C1CCCOC1
InChIInChI=1S/C12H20N2OS/c1-3-13-12(10-5-4-6-15-7-10)11-8-16-9(2)14-11/h8,10,12-13H,3-7H2,1-2H3
InChIKeyYQEWILISGSEGMA-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.53
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine

N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 107138881) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine
PubChem CID107138881
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(c1csc(C)n1)C1CCCOC1
InChIInChI=1S/C12H20N2OS/c1-3-13-12(10-5-4-6-15-7-10)11-8-16-9(2)14-11/h8,10,12-13H,3-7H2,1-2H3
InChIKeyYQEWILISGSEGMA-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,9-dioxaspiro[5.5]undecan-4-yl-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 105167535
N-[(5-methylpyrazin-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107139268
N-[(4-methylquinolin-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107136962
N-[oxan-3-yl-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 107139188
N-[(5-methylfuran-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63015763
N-[oxan-3-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 65332034
N-[(2,6-dichlorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 107139269
N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
CID 65332037
N-[(5-chlorothiophen-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63012736
N-[1-benzothiophen-7-yl(oxan-3-yl)methyl]ethanamine
CID 81153499
N-[(2,5-dimethylpyrazol-3-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138704
N-[(1-methylpyrazol-4-yl)-(oxan-3-yl)methyl]ethanamine
CID 65332421

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine (CID 107138881) is N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine is CCNC(c1csc(C)n1)C1CCCOC1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is YQEWILISGSEGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-13-12(10-5-4-6-15-7-10)11-8-16-9(2)14-11/h8,10,12-13H,3-7H2,1-2H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine?
N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 107138881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).