2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine

C13H16N2OS2 — CID 134055306

IUPAC2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC1CN(Cc2csc(-c3ccsc3)n2)CCO1
InChIInChI=1S/C13H16N2OS2/c1-10-6-15(3-4-16-10)7-12-9-18-13(14-12)11-2-5-17-8-11/h2,5,8-10H,3-4,6-7H2,1H3
InChIKeyWMOVMCZEPRHZKI-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.09
Rot. Bonds3

About 2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine

2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 134055306) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID134055306
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine
SMILESCC1CN(Cc2csc(-c3ccsc3)n2)CCO1
InChIInChI=1S/C13H16N2OS2/c1-10-6-15(3-4-16-10)7-12-9-18-13(14-12)11-2-5-17-8-11/h2,5,8-10H,3-4,6-7H2,1H3
InChIKeyWMOVMCZEPRHZKI-UHFFFAOYSA-N
XLogP3.09
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393450
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 113345871
4-[(3,5-dimethylpiperazin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 63873907
1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 55130969
2-thiophen-3-yl-4-[[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazole
CID 31313736
(2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 94381346
4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-2-thiophen-3-yl-1,3-thiazole
CID 60916712
4-methyl-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 80703386
N-[[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 55070265
4-[(3-piperazin-1-ylazetidin-1-yl)methyl]-2-thiophen-3-yl-1,3-thiazole
CID 66197338
N-[4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51294676
4-[(2-methylmorpholin-4-yl)methyl]-1,3-thiazole-2-carbohydrazide
CID 63568492

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of 2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine (CID 134055306) is 2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for 2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for 2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine is CC1CN(Cc2csc(-c3ccsc3)n2)CCO1.
What is the InChIKey of 2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is WMOVMCZEPRHZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-10-6-15(3-4-16-10)7-12-9-18-13(14-12)11-2-5-17-8-11/h2,5,8-10H,3-4,6-7H2,1H3.
What are the key properties of 2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine?
2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 280.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 134055306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).