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

C17H20N2O2S — CID 51100877

IUPAC1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C)cc1-c1csc(CCN2CCCC2=O)n1
InChIInChI=1S/C17H20N2O2S/c1-12-5-6-15(21-2)13(10-12)14-11-22-16(18-14)7-9-19-8-3-4-17(19)20/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyKZWNDLSGGGNVQI-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.29
Rot. Bonds5

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

1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 51100877) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one
PubChem CID51100877
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C)cc1-c1csc(CCN2CCCC2=O)n1
InChIInChI=1S/C17H20N2O2S/c1-12-5-6-15(21-2)13(10-12)14-11-22-16(18-14)7-9-19-8-3-4-17(19)20/h5-6,10-11H,3-4,7-9H2,1-2H3
InChIKeyKZWNDLSGGGNVQI-UHFFFAOYSA-N
XLogP3.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one (CID 51100877) is 1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one is COc1ccc(C)cc1-c1csc(CCN2CCCC2=O)n1.
What is the InChIKey of 1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is KZWNDLSGGGNVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12-5-6-15(21-2)13(10-12)14-11-22-16(18-14)7-9-19-8-3-4-17(19)20/h5-6,10-11H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 316.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 51100877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).