2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide

C6H6F2N2OS — CID 103515580

IUPAC2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C(NCc1nccs1)C(F)F
InChIInChI=1S/C6H6F2N2OS/c7-5(8)6(11)10-3-4-9-1-2-12-4/h1-2,5H,3H2,(H,10,11)
InChIKeyDHRKNMQSMYSXMY-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.02
Rot. Bonds3

About 2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide

2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 103515580) has the molecular formula C6H6F2N2OS and a molecular weight of 192.19 g/mol. Its IUPAC name is 2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID103515580
Molecular FormulaC6H6F2N2OS
Molecular Weight192.19 g/mol
Exact Mass192.02
IUPAC Name2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESO=C(NCc1nccs1)C(F)F
InChIInChI=1S/C6H6F2N2OS/c7-5(8)6(11)10-3-4-9-1-2-12-4/h1-2,5H,3H2,(H,10,11)
InChIKeyDHRKNMQSMYSXMY-UHFFFAOYSA-N
XLogP1.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.02
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-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 103515580) is 2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide is O=C(NCc1nccs1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is DHRKNMQSMYSXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2OS/c7-5(8)6(11)10-3-4-9-1-2-12-4/h1-2,5H,3H2,(H,10,11).
What are the key properties of 2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide?
2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 192.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 103515580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).