2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

C15H16F2N2OS — CID 71910307

IUPAC2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCCN(CCc1nccs1)C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2OS/c1-2-19(7-5-14-18-6-8-21-14)15(20)10-11-3-4-12(16)13(17)9-11/h3-4,6,8-9H,2,5,7,10H2,1H3
InChIKeyXOKPMIBWCAGBDC-UHFFFAOYSA-N
MW310.37 g/mol
LogP3.06
Rot. Bonds6

About 2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide

2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 71910307) has the molecular formula C15H16F2N2OS and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID71910307
Molecular FormulaC15H16F2N2OS
Molecular Weight310.37 g/mol
Exact Mass310.10
IUPAC Name2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCCN(CCc1nccs1)C(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2N2OS/c1-2-19(7-5-14-18-6-8-21-14)15(20)10-11-3-4-12(16)13(17)9-11/h3-4,6,8-9H,2,5,7,10H2,1H3
InChIKeyXOKPMIBWCAGBDC-UHFFFAOYSA-N
XLogP3.06
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide (CID 71910307) is 2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is CCN(CCc1nccs1)C(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is XOKPMIBWCAGBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2OS/c1-2-19(7-5-14-18-6-8-21-14)15(20)10-11-3-4-12(16)13(17)9-11/h3-4,6,8-9H,2,5,7,10H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide?
2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 310.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 71910307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).