1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine

C11H18N2O2S — CID 116774707

IUPAC1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(C2(OC)CCOCC2)n1
InChIInChI=1S/C11H18N2O2S/c1-12-7-9-8-16-10(13-9)11(14-2)3-5-15-6-4-11/h8,12H,3-7H2,1-2H3
InChIKeyARLMEZXJECYKJA-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.51
Rot. Bonds4

About 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine

1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 116774707) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID116774707
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCNCc1csc(C2(OC)CCOCC2)n1
InChIInChI=1S/C11H18N2O2S/c1-12-7-9-8-16-10(13-9)11(14-2)3-5-15-6-4-11/h8,12H,3-7H2,1-2H3
InChIKeyARLMEZXJECYKJA-UHFFFAOYSA-N
XLogP1.51
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(3-methylbutyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 53607183
1-{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 54595740
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 71755635
1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine
CID 72008385
N-[[1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 72008390
(5aR,9aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,5,5a,6,7,8,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine
CID 97511439
{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 54595767
{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 71755475
N-[[2-(2-ethoxybutan-2-yl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine
CID 102929468
N-[[2-(3-ethoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine
CID 102929512
2,2,2-trifluoro-N-[[2-(3-methoxypentan-3-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 102929559
N-[[2-(1-ethoxycyclopentyl)-1,3-thiazol-4-yl]methyl]-2,2,2-trifluoroethanamine
CID 102929602

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine (CID 116774707) is 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is CNCc1csc(C2(OC)CCOCC2)n1.
What is the InChIKey of 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is ARLMEZXJECYKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-12-7-9-8-16-10(13-9)11(14-2)3-5-15-6-4-11/h8,12H,3-7H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine has a molecular weight of 242.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyoxan-4-yl)-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 116774707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).