(4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole

C9H16N2S — CID 141340738

IUPAC(4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole
SMILESC1=N[C@H](CCN2CCCC2)CS1
InChIInChI=1S/C9H16N2S/c1-2-5-11(4-1)6-3-9-7-12-8-10-9/h8-9H,1-7H2/t9-/m1/s1
InChIKeyOAEYAEJILAZODI-SECBINFHSA-N
MW184.31 g/mol
LogP1.62
Rot. Bonds3

About (4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole

(4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole (PubChem CID 141340738) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is (4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole
PubChem CID141340738
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name(4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole
SMILESC1=N[C@H](CCN2CCCC2)CS1
InChIInChI=1S/C9H16N2S/c1-2-5-11(4-1)6-3-9-7-12-8-10-9/h8-9H,1-7H2/t9-/m1/s1
InChIKeyOAEYAEJILAZODI-SECBINFHSA-N
XLogP1.62
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole (CID 141340738) is (4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole is C1=N[C@H](CCN2CCCC2)CS1.
What is the InChIKey of (4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole?
The InChIKey is OAEYAEJILAZODI-SECBINFHSA-N. The full InChI is InChI=1S/C9H16N2S/c1-2-5-11(4-1)6-3-9-7-12-8-10-9/h8-9H,1-7H2/t9-/m1/s1.
What are the key properties of (4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole?
(4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole has a molecular weight of 184.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 141340738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).