2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide

C6H6F2N2OS — CID 126809598

IUPAC2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide
SMILESCc1cc(NC(=O)C(F)F)sn1
InChIInChI=1S/C6H6F2N2OS/c1-3-2-4(12-10-3)9-6(11)5(7)8/h2,5H,1H3,(H,9,11)
InChIKeyNAQIKUZUJGQQLT-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.66
Rot. Bonds2

About 2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide

2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide (PubChem CID 126809598) has the molecular formula C6H6F2N2OS and a molecular weight of 192.19 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide
PubChem CID126809598
Molecular FormulaC6H6F2N2OS
Molecular Weight192.19 g/mol
Exact Mass192.02
IUPAC Name2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide
SMILESCc1cc(NC(=O)C(F)F)sn1
InChIInChI=1S/C6H6F2N2OS/c1-3-2-4(12-10-3)9-6(11)5(7)8/h2,5H,1H3,(H,9,11)
InChIKeyNAQIKUZUJGQQLT-UHFFFAOYSA-N
XLogP1.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Acetamide,n-(3-methyl-5-isothiazolyl)-
CID 266543
Isothiazole, 5-(2-(dimethylamino)acetamido)-3-methyl-
CID 56036
Isothiazole, 5-(2-(diethylamino)acetamido)-3-methyl-
CID 56190
2,2-dichloro-N-(3-methyl-1,2-thiazol-5-yl)acetamide
CID 22398290
N-methyl-3-(trifluoromethyl)-1,2-thiazol-5-amine
CID 164584173
[3-(Trifluoromethyl)-1,2-thiazol-5-yl]carbamic acid
CID 175536044
N-(3-methylisothiazol-5-yl)pivalamide
CID 45505574
N-(3-methyl-1,2-thiazol-5-yl)formamide
CID 87388392
2-bromo-2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide
CID 130735675
3,3-Difluoro-N-(3-methyl-1,2-thiazol-5-yl)cyclobutane-1-carboxamide
CID 137889184
4,4,4-trifluoro-N-(3-methyl-1,2-thiazol-5-yl)butanamide
CID 155976705
(3-Methyl-1,2-thiazol-5-yl)urea
CID 18432878

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide (CID 126809598) is 2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide is Cc1cc(NC(=O)C(F)F)sn1.
What is the InChIKey of 2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
The InChIKey is NAQIKUZUJGQQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2OS/c1-3-2-4(12-10-3)9-6(11)5(7)8/h2,5H,1H3,(H,9,11).
What are the key properties of 2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide?
2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide has a molecular weight of 192.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-methyl-1,2-thiazol-5-yl)acetamide is sourced from PubChem (CID 126809598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).