2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole

C10H17NO2S — CID 174382418

IUPAC2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole
SMILESC1CCOC(OCC2=NCCS2)CC1
InChIInChI=1S/C10H17NO2S/c1-2-4-10(12-6-3-1)13-8-9-11-5-7-14-9/h10H,1-8H2
InChIKeySHBMXXYWJKGUBW-UHFFFAOYSA-N
MW215.32 g/mol
LogP2.07
Rot. Bonds3

About 2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole

2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole (PubChem CID 174382418) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole
PubChem CID174382418
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole
SMILESC1CCOC(OCC2=NCCS2)CC1
InChIInChI=1S/C10H17NO2S/c1-2-4-10(12-6-3-1)13-8-9-11-5-7-14-9/h10H,1-8H2
InChIKeySHBMXXYWJKGUBW-UHFFFAOYSA-N
XLogP2.07
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
3-bromo-5-(oxan-2-yloxymethyl)-1,2,4-oxadiazole
CID 126752253
2-[(2-bromothiophen-3-yl)methoxy]oxane
CID 20815950
2-(2-chloroethoxy)oxepane
CID 24977653
(2S)-2-[(4-bromophenyl)methoxy]oxane
CID 68903974
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
5-iodo-1-[2-(oxan-2-yloxy)ethyl]imidazole
CID 86687194
4-(bromomethyl)-2-(oxan-2-yloxymethyl)-1,3-thiazole
CID 147113230
4-(oxan-2-yloxymethyl)-N-[4-[4-[4-(oxan-2-yloxymethyl)-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]anilino]phenyl]phenyl]-N-[4-[4-(oxan-2-yloxymethyl)phenyl]phenyl]aniline
CID 89394119
2-[(E)-4-(oxan-2-yloxy)but-2-enoxy]oxane
CID 14103518
2-[[4-(bromomethyl)-2,3,5,6-tetrafluorophenyl]methoxy]oxane
CID 14423027
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561

Frequently Asked Questions

What is the IUPAC name of 2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole (CID 174382418) is 2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole is C1CCOC(OCC2=NCCS2)CC1.
What is the InChIKey of 2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is SHBMXXYWJKGUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-2-4-10(12-6-3-1)13-8-9-11-5-7-14-9/h10H,1-8H2.
What are the key properties of 2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole?
2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 215.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxepan-2-yloxymethyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 174382418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).