2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole

C11H19NOS — CID 116734658

IUPAC2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole
SMILESCCOC(C)(C)c1ncc(C(C)C)s1
InChIInChI=1S/C11H19NOS/c1-6-13-11(4,5)10-12-7-9(14-10)8(2)3/h7-8H,6H2,1-5H3
InChIKeyKCHMBTQYFUWBJE-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.54
Rot. Bonds4

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

2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole (PubChem CID 116734658) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole
PubChem CID116734658
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole
SMILESCCOC(C)(C)c1ncc(C(C)C)s1
InChIInChI=1S/C11H19NOS/c1-6-13-11(4,5)10-12-7-9(14-10)8(2)3/h7-8H,6H2,1-5H3
InChIKeyKCHMBTQYFUWBJE-UHFFFAOYSA-N
XLogP3.54
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-5-propan-2-yl-1,3-thiazole
CID 59135224
[2-ethoxy-2-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propyl]hydrazine
CID 106787056
2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole
CID 116734587
3-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid
CID 122048185
2-(1-ethoxy-2-methylpropyl)-5-propan-2-yl-1,3-thiazole
CID 116734663
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethanamine
CID 106785123
4-[[(5-propan-2-yl-1,3-thiazol-2-yl)amino]methyl]benzoic acid
CID 122048296
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170489
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 71999021
2-[(2-methylpropan-2-yl)oxymethyl]-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 166259554
1-[2-(2-ethoxypropan-2-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 116727806
1-[2-(2-ethoxypropan-2-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
CID 116727561

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole (CID 116734658) is 2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole is CCOC(C)(C)c1ncc(C(C)C)s1.
What is the InChIKey of 2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole?
The InChIKey is KCHMBTQYFUWBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-6-13-11(4,5)10-12-7-9(14-10)8(2)3/h7-8H,6H2,1-5H3.
What are the key properties of 2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole?
2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole has a molecular weight of 213.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropan-2-yl)-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 116734658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).