2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole

C11H19NOS — CID 116734587

IUPAC2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCCOC(C)(C)c1nc(C(C)C)cs1
InChIInChI=1S/C11H19NOS/c1-6-13-11(4,5)10-12-9(7-14-10)8(2)3/h7-8H,6H2,1-5H3
InChIKeyULOPKZSERCNBTN-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.54
Rot. Bonds4

About 2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole

2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole (PubChem CID 116734587) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole
PubChem CID116734587
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole
SMILESCCOC(C)(C)c1nc(C(C)C)cs1
InChIInChI=1S/C11H19NOS/c1-6-13-11(4,5)10-12-9(7-14-10)8(2)3/h7-8H,6H2,1-5H3
InChIKeyULOPKZSERCNBTN-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole (CID 116734587) is 2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole is CCOC(C)(C)c1nc(C(C)C)cs1.
What is the InChIKey of 2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole?
The InChIKey is ULOPKZSERCNBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-6-13-11(4,5)10-12-9(7-14-10)8(2)3/h7-8H,6H2,1-5H3.
What are the key properties of 2-(2-ethoxypropan-2-yl)-4-propan-2-yl-1,3-thiazole?
2-(2-ethoxypropan-2-yl)-4-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)-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 116734587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).