1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one

C14H14N2OS — CID 4792115

IUPAC1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESCc1sc(N2CCCC2=O)nc1-c1ccccc1
InChIInChI=1S/C14H14N2OS/c1-10-13(11-6-3-2-4-7-11)15-14(18-10)16-9-5-8-12(16)17/h2-4,6-7H,5,8-9H2,1H3
InChIKeyWLDYGKOQHXSKQQ-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.25
Rot. Bonds2

About 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one

1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one (PubChem CID 4792115) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one
PubChem CID4792115
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one
SMILESCc1sc(N2CCCC2=O)nc1-c1ccccc1
InChIInChI=1S/C14H14N2OS/c1-10-13(11-6-3-2-4-7-11)15-14(18-10)16-9-5-8-12(16)17/h2-4,6-7H,5,8-9H2,1H3
InChIKeyWLDYGKOQHXSKQQ-UHFFFAOYSA-N
XLogP3.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one (CID 4792115) is 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one is Cc1sc(N2CCCC2=O)nc1-c1ccccc1.
What is the InChIKey of 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
The InChIKey is WLDYGKOQHXSKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-10-13(11-6-3-2-4-7-11)15-14(18-10)16-9-5-8-12(16)17/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one?
1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one has a molecular weight of 258.35 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 4792115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).