2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide

C20H23F2N3O2S — CID 166212702

IUPAC2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide
SMILESCN(CCN1CCCC1=O)C(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C20H23F2N3O2S/c1-20(2,19(27)24(3)9-10-25-8-4-5-17(25)26)16-12-28-18(23-16)14-11-13(21)6-7-15(14)22/h6-7,11-12H,4-5,8-10H2,1-3H3
InChIKeyHWIBVXDTBITZBR-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.45
Rot. Bonds6

About 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide

2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide (PubChem CID 166212702) has the molecular formula C20H23F2N3O2S and a molecular weight of 407.49 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide
PubChem CID166212702
Molecular FormulaC20H23F2N3O2S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide
SMILESCN(CCN1CCCC1=O)C(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1
InChIInChI=1S/C20H23F2N3O2S/c1-20(2,19(27)24(3)9-10-25-8-4-5-17(25)26)16-12-28-18(23-16)14-11-13(21)6-7-15(14)22/h6-7,11-12H,4-5,8-10H2,1-3H3
InChIKeyHWIBVXDTBITZBR-UHFFFAOYSA-N
XLogP3.45
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide?
The IUPAC name of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide (CID 166212702) is 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide is CN(CCN1CCCC1=O)C(=O)C(C)(C)c1csc(-c2cc(F)ccc2F)n1.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide?
The InChIKey is HWIBVXDTBITZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2S/c1-20(2,19(27)24(3)9-10-25-8-4-5-17(25)26)16-12-28-18(23-16)14-11-13(21)6-7-15(14)22/h6-7,11-12H,4-5,8-10H2,1-3H3.
What are the key properties of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide?
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide has a molecular weight of 407.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N,2-dimethyl-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 166212702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).