2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole

C12H19NO2S2 — CID 75374525

IUPAC2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole
SMILESCOCc1nc(CSCC2CCOCC2)cs1
InChIInChI=1S/C12H19NO2S2/c1-14-6-12-13-11(9-17-12)8-16-7-10-2-4-15-5-3-10/h9-10H,2-8H2,1H3
InChIKeyOZFZOTZAXIRZET-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.95
Rot. Bonds6

About 2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole

2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole (PubChem CID 75374525) has the molecular formula C12H19NO2S2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole
PubChem CID75374525
Molecular FormulaC12H19NO2S2
Molecular Weight273.42 g/mol
Exact Mass273.09
IUPAC Name2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole
SMILESCOCc1nc(CSCC2CCOCC2)cs1
InChIInChI=1S/C12H19NO2S2/c1-14-6-12-13-11(9-17-12)8-16-7-10-2-4-15-5-3-10/h9-10H,2-8H2,1H3
InChIKeyOZFZOTZAXIRZET-UHFFFAOYSA-N
XLogP2.95
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopentylmethyl)-4-(methoxymethyl)-1,3-thiazole
CID 100742041
2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62486890
1-[2-(oxan-4-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115088149
[1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]pyrrolidin-3-yl]methanamine
CID 167935793
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine
CID 115671468
2-(methoxymethyl)-4-piperidin-4-yl-1,3-thiazole
CID 82276880
N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62441066
2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110374670
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine
CID 115654243
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-methyl-N-(oxan-4-ylmethyl)ethanamine
CID 55227400
2-methyl-N-[[4-(oxan-4-yloxymethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62440700
N-[[4-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 63705658

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole?
The IUPAC name of 2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole (CID 75374525) is 2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole?
The canonical SMILES for 2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole is COCc1nc(CSCC2CCOCC2)cs1.
What is the InChIKey of 2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole?
The InChIKey is OZFZOTZAXIRZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S2/c1-14-6-12-13-11(9-17-12)8-16-7-10-2-4-15-5-3-10/h9-10H,2-8H2,1H3.
What are the key properties of 2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole?
2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole has a molecular weight of 273.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-(oxan-4-ylmethylsulfanylmethyl)-1,3-thiazole is sourced from PubChem (CID 75374525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).