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

C5H3BrF2N2OS — CID 130671528

IUPAC2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(F)(F)Br
InChIInChI=1S/C5H3BrF2N2OS/c6-5(7,8)3(11)10-4-9-1-2-12-4/h1-2H,(H,9,10,11)
InChIKeyCZHBFJCXOUZRMD-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.07
Rot. Bonds2

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

2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 130671528) has the molecular formula C5H3BrF2N2OS and a molecular weight of 257.06 g/mol. Its IUPAC name is 2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide
PubChem CID130671528
Molecular FormulaC5H3BrF2N2OS
Molecular Weight257.06 g/mol
Exact Mass255.91
IUPAC Name2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Nc1nccs1)C(F)(F)Br
InChIInChI=1S/C5H3BrF2N2OS/c6-5(7,8)3(11)10-4-9-1-2-12-4/h1-2H,(H,9,10,11)
InChIKeyCZHBFJCXOUZRMD-UHFFFAOYSA-N
XLogP2.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-Acetamidothiazole
CID 17625
2,2,2-trichloro-N-(1,3-thiazol-2-yl)acetamide
CID 1415429
2,2,2-trifluoro-N-(1,3-thiazol-2-yl)acetamide
CID 267659
2-Amino-N-(thiazol-2-yl)acetamide
CID 20558664
N-(1,3-Thiazol-2-yl)propanamide
CID 247650
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 877209
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]acetamide
CID 538728
2-Trifluorothioacetylaminothiazole
CID 5376017
2-Bromo-N-(1,3-thiazol-2-yl)acetamide
CID 304576
1-(Thiazol-2-yl)urea
CID 16781708
3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-yl)-2-(trifluoromethyl)propanamide
CID 1906036

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide (CID 130671528) is 2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(F)(F)Br.
What is the InChIKey of 2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CZHBFJCXOUZRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrF2N2OS/c6-5(7,8)3(11)10-4-9-1-2-12-4/h1-2H,(H,9,10,11).
What are the key properties of 2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide?
2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 257.06 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-difluoro-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 130671528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).