2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole

C12H21NOS — CID 116734663

IUPAC2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole
SMILESCCOC(c1ncc(C(C)C)s1)C(C)C
InChIInChI=1S/C12H21NOS/c1-6-14-11(9(4)5)12-13-7-10(15-12)8(2)3/h7-9,11H,6H2,1-5H3
InChIKeyXTCSJALWKUDMIP-UHFFFAOYSA-N
MW227.37 g/mol
LogP4.00
Rot. Bonds5

About 2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole

2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole (PubChem CID 116734663) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole
PubChem CID116734663
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole
SMILESCCOC(c1ncc(C(C)C)s1)C(C)C
InChIInChI=1S/C12H21NOS/c1-6-14-11(9(4)5)12-13-7-10(15-12)8(2)3/h7-9,11H,6H2,1-5H3
InChIKeyXTCSJALWKUDMIP-UHFFFAOYSA-N
XLogP4.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-5-yl]ethanamine
CID 116727757
2-(1-ethoxy-2-methylpropyl)-1,3-thiazole-5-carbaldehyde
CID 116727320
1-[2-(1-ethoxy-2,2-dimethylpropyl)-1,3-thiazol-5-yl]ethanol
CID 116728250
2-(1-methoxybutyl)-5-propan-2-yl-1,3-thiazole
CID 116734664
2-(1-fluoroethyl)-5-propan-2-yl-1,3-thiazole
CID 159209209
2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole
CID 116734658
[2-(1-ethoxy-2-methylpropyl)-1,3-thiazol-4-yl]methanamine
CID 116727879
5-propan-2-yl-2-[5-(4-propan-2-ylphenyl)hexan-2-yl]-1,3-thiazole
CID 155415812
[2-(1-ethoxy-2-methylpropyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116730526
2-(1-ethoxy-4-methylcyclohexyl)-5-propan-2-yl-1,3-thiazole
CID 116782816
1-[2-(1-ethoxy-2-methylpropyl)pyrimidin-5-yl]-N-methylmethanamine
CID 116731235
(2-bromo-1,3-thiazol-5-yl)-ethoxymethanol
CID 134387990

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole (CID 116734663) is 2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole is CCOC(c1ncc(C(C)C)s1)C(C)C.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is XTCSJALWKUDMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-6-14-11(9(4)5)12-13-7-10(15-12)8(2)3/h7-9,11H,6H2,1-5H3.
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole?
2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 227.37 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 116734663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).