[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine

C11H19N3S — CID 115089816

IUPAC[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)N1CCC(c2ncc(CN)s2)C1
InChIInChI=1S/C11H19N3S/c1-8(2)14-4-3-9(7-14)11-13-6-10(5-12)15-11/h6,8-9H,3-5,7,12H2,1-2H3
InChIKeyOFLWKRJRFNCBPG-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.80
Rot. Bonds3

About [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine

[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 115089816) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID115089816
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCC(C)N1CCC(c2ncc(CN)s2)C1
InChIInChI=1S/C11H19N3S/c1-8(2)14-4-3-9(7-14)11-13-6-10(5-12)15-11/h6,8-9H,3-5,7,12H2,1-2H3
InChIKeyOFLWKRJRFNCBPG-UHFFFAOYSA-N
XLogP1.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine (CID 115089816) is [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine is CC(C)N1CCC(c2ncc(CN)s2)C1.
What is the InChIKey of [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is OFLWKRJRFNCBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-8(2)14-4-3-9(7-14)11-13-6-10(5-12)15-11/h6,8-9H,3-5,7,12H2,1-2H3.
What are the key properties of [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine?
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 225.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 115089816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).