2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole

C10H16N2OS — CID 121183548

IUPAC2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole
SMILESCC(C)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C10H16N2OS/c1-8(2)12-5-3-9(7-12)13-10-11-4-6-14-10/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeySXBIYLFARKJNBZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.00
Rot. Bonds3

About 2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole

2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole (PubChem CID 121183548) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole
PubChem CID121183548
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole
SMILESCC(C)N1CCC(Oc2nccs2)C1
InChIInChI=1S/C10H16N2OS/c1-8(2)12-5-3-9(7-12)13-10-11-4-6-14-10/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeySXBIYLFARKJNBZ-UHFFFAOYSA-N
XLogP2.00
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole?
The IUPAC name of 2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole (CID 121183548) is 2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole.
What is the SMILES notation for 2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole?
The canonical SMILES for 2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole is CC(C)N1CCC(Oc2nccs2)C1.
What is the InChIKey of 2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole?
The InChIKey is SXBIYLFARKJNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8(2)12-5-3-9(7-12)13-10-11-4-6-14-10/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole?
2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole has a molecular weight of 212.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,3-thiazole is sourced from PubChem (CID 121183548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).