2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole

C16H20N2S — CID 169259950

IUPAC2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole
SMILESc1ccc(CCCc2ncc(N3CCCC3)s2)cc1
InChIInChI=1S/C16H20N2S/c1-2-7-14(8-3-1)9-6-10-15-17-13-16(19-15)18-11-4-5-12-18/h1-3,7-8,13H,4-6,9-12H2
InChIKeyOLEKZESYZQMMTR-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.92
Rot. Bonds5

About 2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole

2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 169259950) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole
PubChem CID169259950
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole
SMILESc1ccc(CCCc2ncc(N3CCCC3)s2)cc1
InChIInChI=1S/C16H20N2S/c1-2-7-14(8-3-1)9-6-10-15-17-13-16(19-15)18-11-4-5-12-18/h1-3,7-8,13H,4-6,9-12H2
InChIKeyOLEKZESYZQMMTR-UHFFFAOYSA-N
XLogP3.92
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole (CID 169259950) is 2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole is c1ccc(CCCc2ncc(N3CCCC3)s2)cc1.
What is the InChIKey of 2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is OLEKZESYZQMMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c1-2-7-14(8-3-1)9-6-10-15-17-13-16(19-15)18-11-4-5-12-18/h1-3,7-8,13H,4-6,9-12H2.
What are the key properties of 2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole?
2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 272.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-5-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 169259950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).