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

C9H15NOS2 — CID 18996079

IUPAC5-(2-ethoxypropan-2-yl)-2-methylsulfanyl-1,3-thiazole
SMILESCCOC(C)(C)c1cnc(SC)s1
InChIInChI=1S/C9H15NOS2/c1-5-11-9(2,3)7-6-10-8(12-4)13-7/h6H,5H2,1-4H3
InChIKeyGQYBBKKAIHQICW-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.14
Rot. Bonds4

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

5-(2-ethoxypropan-2-yl)-2-methylsulfanyl-1,3-thiazole (PubChem CID 18996079) has the molecular formula C9H15NOS2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 5-(2-ethoxypropan-2-yl)-2-methylsulfanyl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-ethoxypropan-2-yl)-2-methylsulfanyl-1,3-thiazole
PubChem CID18996079
Molecular FormulaC9H15NOS2
Molecular Weight217.36 g/mol
Exact Mass217.06
IUPAC Name5-(2-ethoxypropan-2-yl)-2-methylsulfanyl-1,3-thiazole
SMILESCCOC(C)(C)c1cnc(SC)s1
InChIInChI=1S/C9H15NOS2/c1-5-11-9(2,3)7-6-10-8(12-4)13-7/h6H,5H2,1-4H3
InChIKeyGQYBBKKAIHQICW-UHFFFAOYSA-N
XLogP3.14
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxypropan-2-yl)-2-methylsulfanyl-1,3-thiazole?
The IUPAC name of 5-(2-ethoxypropan-2-yl)-2-methylsulfanyl-1,3-thiazole (CID 18996079) is 5-(2-ethoxypropan-2-yl)-2-methylsulfanyl-1,3-thiazole.
What is the SMILES notation for 5-(2-ethoxypropan-2-yl)-2-methylsulfanyl-1,3-thiazole?
The canonical SMILES for 5-(2-ethoxypropan-2-yl)-2-methylsulfanyl-1,3-thiazole is CCOC(C)(C)c1cnc(SC)s1.
What is the InChIKey of 5-(2-ethoxypropan-2-yl)-2-methylsulfanyl-1,3-thiazole?
The InChIKey is GQYBBKKAIHQICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS2/c1-5-11-9(2,3)7-6-10-8(12-4)13-7/h6H,5H2,1-4H3.
What are the key properties of 5-(2-ethoxypropan-2-yl)-2-methylsulfanyl-1,3-thiazole?
5-(2-ethoxypropan-2-yl)-2-methylsulfanyl-1,3-thiazole has a molecular weight of 217.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxypropan-2-yl)-2-methylsulfanyl-1,3-thiazole is sourced from PubChem (CID 18996079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).