4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol

C11H18N2O2S — CID 162798872

IUPAC4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol
SMILESCc1nc(C)c(CN2CCOCC(O)C2)s1
InChIInChI=1S/C11H18N2O2S/c1-8-11(16-9(2)12-8)6-13-3-4-15-7-10(14)5-13/h10,14H,3-7H2,1-2H3
InChIKeyMHGGACJIWLUAOC-UHFFFAOYSA-N
MW242.34 g/mol
LogP0.95
Rot. Bonds2

About 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol

4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol (PubChem CID 162798872) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol
PubChem CID162798872
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol
SMILESCc1nc(C)c(CN2CCOCC(O)C2)s1
InChIInChI=1S/C11H18N2O2S/c1-8-11(16-9(2)12-8)6-13-3-4-15-7-10(14)5-13/h10,14H,3-7H2,1-2H3
InChIKeyMHGGACJIWLUAOC-UHFFFAOYSA-N
XLogP0.95
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 129470952
(6R)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-pyridin-3-yloxy-1,4-oxazepane
CID 75536942
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-(4-methylsulfonylphenoxy)-1,4-oxazepane
CID 162806068
5-[[(1S,5S)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 131939365
(3S,5S)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(hydroxymethyl)pyrrolidin-3-ol
CID 167764837
(6R)-4-(pyridin-2-ylmethyl)-1,4-oxazepan-6-ol
CID 75367760
5-[(4-cyclobutylpiperazin-1-yl)methyl]-2,4-dimethyl-1,3-thiazole
CID 155980200
N-[[(3R)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 95210718
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 77078700
N-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-N-methylacetamide
CID 154582450
N-[4-methyl-5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 1338962
1-[2-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 71978470

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol?
The IUPAC name of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol (CID 162798872) is 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol.
What is the SMILES notation for 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol?
The canonical SMILES for 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol is Cc1nc(C)c(CN2CCOCC(O)C2)s1.
What is the InChIKey of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol?
The InChIKey is MHGGACJIWLUAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-8-11(16-9(2)12-8)6-13-3-4-15-7-10(14)5-13/h10,14H,3-7H2,1-2H3.
What are the key properties of 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol?
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol has a molecular weight of 242.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,4-oxazepan-6-ol is sourced from PubChem (CID 162798872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).