4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole

C12H19NOS — CID 2861819

IUPAC4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole
SMILESCCC1(C)CC(c2csc(C)n2)CCO1
InChIInChI=1S/C12H19NOS/c1-4-12(3)7-10(5-6-14-12)11-8-15-9(2)13-11/h8,10H,4-7H2,1-3H3
InChIKeyYPZFGDOTQMFJSL-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.51
Rot. Bonds2

About 4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole

4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole (PubChem CID 2861819) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole
PubChem CID2861819
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole
SMILESCCC1(C)CC(c2csc(C)n2)CCO1
InChIInChI=1S/C12H19NOS/c1-4-12(3)7-10(5-6-14-12)11-8-15-9(2)13-11/h8,10H,4-7H2,1-3H3
InChIKeyYPZFGDOTQMFJSL-UHFFFAOYSA-N
XLogP3.51
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Stk831378
CID 2833394
4-(2,2-Dimethyloxan-4-yl)-1,3-thiazol-2-amine
CID 648091
Thiazole, 2-methyl-4-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)-
CID 2861810
2-Methyl-4-(2-propyloxan-4-yl)-1,3-thiazole
CID 2861834
4-Ethyl-2-(oxan-4-yl)-1,3-thiazole
CID 104469280
4-((2S)-2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)thiazol-2-amine
CID 16397086
4-Cyclobutyl-2-(oxan-4-yl)-1,3-thiazole
CID 128382196
2-(Cyclopropylmethyl)-4-(oxan-4-yl)-1,3-thiazole
CID 132284276
4-(Oxan-4-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 116967703
4-(Oxan-4-yl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 116969914
4-(4,4-Difluorocyclohexyl)-2-(oxolan-2-ylmethyl)-1,3-thiazole
CID 154797884
2-(2,2-Difluorocyclohexyl)-4-(oxan-4-ylmethyl)-1,3-thiazole
CID 166314800

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole (CID 2861819) is 4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole is CCC1(C)CC(c2csc(C)n2)CCO1.
What is the InChIKey of 4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole?
The InChIKey is YPZFGDOTQMFJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-12(3)7-10(5-6-14-12)11-8-15-9(2)13-11/h8,10H,4-7H2,1-3H3.
What are the key properties of 4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole?
4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole has a molecular weight of 225.36 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-2-methyloxan-4-yl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 2861819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).