N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C14H25N3OS2 — CID 107510481

IUPACN-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CC(C)SC(C)C2)nc1COC
InChIInChI=1S/C14H25N3OS2/c1-5-15-6-13-12(9-18-4)16-14(20-13)17-7-10(2)19-11(3)8-17/h10-11,15H,5-9H2,1-4H3
InChIKeyCXMGQWOGZIZLCW-UHFFFAOYSA-N
MW315.51 g/mol
LogP2.73
Rot. Bonds6

About N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 107510481) has the molecular formula C14H25N3OS2 and a molecular weight of 315.51 g/mol. Its IUPAC name is N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID107510481
Molecular FormulaC14H25N3OS2
Molecular Weight315.51 g/mol
Exact Mass315.14
IUPAC NameN-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CC(C)SC(C)C2)nc1COC
InChIInChI=1S/C14H25N3OS2/c1-5-15-6-13-12(9-18-4)16-14(20-13)17-7-10(2)19-11(3)8-17/h10-11,15H,5-9H2,1-4H3
InChIKeyCXMGQWOGZIZLCW-UHFFFAOYSA-N
XLogP2.73
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 107510481) is N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2CC(C)SC(C)C2)nc1COC.
What is the InChIKey of N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is CXMGQWOGZIZLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS2/c1-5-15-6-13-12(9-18-4)16-14(20-13)17-7-10(2)19-11(3)8-17/h10-11,15H,5-9H2,1-4H3.
What are the key properties of N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 315.51 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dimethylthiomorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 107510481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).