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

C7H8F2N2OS — CID 103515491

IUPAC2,2-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(NCCc1cscn1)C(F)F
InChIInChI=1S/C7H8F2N2OS/c8-6(9)7(12)10-2-1-5-3-13-4-11-5/h3-4,6H,1-2H2,(H,10,12)
InChIKeyIDDCLBYCFOWFAH-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.07
Rot. Bonds4

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

2,2-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 103515491) has the molecular formula C7H8F2N2OS and a molecular weight of 206.22 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID103515491
Molecular FormulaC7H8F2N2OS
Molecular Weight206.22 g/mol
Exact Mass206.03
IUPAC Name2,2-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESO=C(NCCc1cscn1)C(F)F
InChIInChI=1S/C7H8F2N2OS/c8-6(9)7(12)10-2-1-5-3-13-4-11-5/h3-4,6H,1-2H2,(H,10,12)
InChIKeyIDDCLBYCFOWFAH-UHFFFAOYSA-N
XLogP1.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (CID 103515491) is 2,2-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is O=C(NCCc1cscn1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is IDDCLBYCFOWFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2OS/c8-6(9)7(12)10-2-1-5-3-13-4-11-5/h3-4,6H,1-2H2,(H,10,12).
What are the key properties of 2,2-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
2,2-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 206.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 103515491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).