1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one

C16H17FN2OS — CID 47030341

IUPAC1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1sc(CCN2CCCC2=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H17FN2OS/c1-11-16(12-4-6-13(17)7-5-12)18-14(21-11)8-10-19-9-2-3-15(19)20/h4-7H,2-3,8-10H2,1H3
InChIKeyWCGJIJNBUZXRPG-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.42
Rot. Bonds4

About 1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one

1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 47030341) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one
PubChem CID47030341
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one
SMILESCc1sc(CCN2CCCC2=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H17FN2OS/c1-11-16(12-4-6-13(17)7-5-12)18-14(21-11)8-10-19-9-2-3-15(19)20/h4-7H,2-3,8-10H2,1H3
InChIKeyWCGJIJNBUZXRPG-UHFFFAOYSA-N
XLogP3.42
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one (CID 47030341) is 1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one is Cc1sc(CCN2CCCC2=O)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is WCGJIJNBUZXRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-11-16(12-4-6-13(17)7-5-12)18-14(21-11)8-10-19-9-2-3-15(19)20/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 304.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 47030341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).