4-methoxy-2-(oxan-4-yl)-1,3-thiazole

C9H13NO2S — CID 116891853

IUPAC4-methoxy-2-(oxan-4-yl)-1,3-thiazole
SMILESCOc1csc(C2CCOCC2)n1
InChIInChI=1S/C9H13NO2S/c1-11-8-6-13-9(10-8)7-2-4-12-5-3-7/h6-7H,2-5H2,1H3
InChIKeyVEBOYAFKKDEGGE-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.05
Rot. Bonds2

About 4-methoxy-2-(oxan-4-yl)-1,3-thiazole

4-methoxy-2-(oxan-4-yl)-1,3-thiazole (PubChem CID 116891853) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 4-methoxy-2-(oxan-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methoxy-2-(oxan-4-yl)-1,3-thiazole
PubChem CID116891853
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name4-methoxy-2-(oxan-4-yl)-1,3-thiazole
SMILESCOc1csc(C2CCOCC2)n1
InChIInChI=1S/C9H13NO2S/c1-11-8-6-13-9(10-8)7-2-4-12-5-3-7/h6-7H,2-5H2,1H3
InChIKeyVEBOYAFKKDEGGE-UHFFFAOYSA-N
XLogP2.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(oxolan-3-yl)-1,3-thiazole-4-carboxylate
CID 115422170
3-methyl-2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]butanenitrile
CID 116891546
2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]ethanol
CID 115087796
4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965399
2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116889217
3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine
CID 116888938
N-[[2-(oxan-4-yl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 62385749
[1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclopropyl]methanamine
CID 116890896
4-(oxolan-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 104749815
1-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutane-1-carboxylic acid
CID 116891034
2-(oxan-4-yl)-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116888781
N-methyl-1-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 64545521

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(oxan-4-yl)-1,3-thiazole?
The IUPAC name of 4-methoxy-2-(oxan-4-yl)-1,3-thiazole (CID 116891853) is 4-methoxy-2-(oxan-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-methoxy-2-(oxan-4-yl)-1,3-thiazole?
The canonical SMILES for 4-methoxy-2-(oxan-4-yl)-1,3-thiazole is COc1csc(C2CCOCC2)n1.
What is the InChIKey of 4-methoxy-2-(oxan-4-yl)-1,3-thiazole?
The InChIKey is VEBOYAFKKDEGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-11-8-6-13-9(10-8)7-2-4-12-5-3-7/h6-7H,2-5H2,1H3.
What are the key properties of 4-methoxy-2-(oxan-4-yl)-1,3-thiazole?
4-methoxy-2-(oxan-4-yl)-1,3-thiazole has a molecular weight of 199.27 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(oxan-4-yl)-1,3-thiazole is sourced from PubChem (CID 116891853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).