2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone

C15H16N2OS — CID 39081175

IUPAC2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1csc(-c2ccccc2)n1)N1CCCC1
InChIInChI=1S/C15H16N2OS/c18-14(17-8-4-5-9-17)10-13-11-19-15(16-13)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2
InChIKeyLWWVYFPZACZLTO-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.97
Rot. Bonds3

About 2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone

2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 39081175) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone
PubChem CID39081175
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone
SMILESO=C(Cc1csc(-c2ccccc2)n1)N1CCCC1
InChIInChI=1S/C15H16N2OS/c18-14(17-8-4-5-9-17)10-13-11-19-15(16-13)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2
InChIKeyLWWVYFPZACZLTO-UHFFFAOYSA-N
XLogP2.97
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone (CID 39081175) is 2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone is O=C(Cc1csc(-c2ccccc2)n1)N1CCCC1.
What is the InChIKey of 2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is LWWVYFPZACZLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-14(17-8-4-5-9-17)10-13-11-19-15(16-13)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2.
What are the key properties of 2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone?
2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 272.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-1,3-thiazol-4-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 39081175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).