2-acetamido-1,3-thiazole-4-carbonyl fluoride

C6H5FN2O2S — CID 172834640

IUPAC2-acetamido-1,3-thiazole-4-carbonyl fluoride
SMILESCC(=O)Nc1nc(C(=O)F)cs1
InChIInChI=1S/C6H5FN2O2S/c1-3(10)8-6-9-4(2-12-6)5(7)11/h2H,1H3,(H,8,9,10)
InChIKeyVZGZJMFIQLZHKH-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.21
Rot. Bonds2

About 2-acetamido-1,3-thiazole-4-carbonyl fluoride

2-acetamido-1,3-thiazole-4-carbonyl fluoride (PubChem CID 172834640) has the molecular formula C6H5FN2O2S and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-acetamido-1,3-thiazole-4-carbonyl fluoride.

Molecular Properties

Compound Name2-acetamido-1,3-thiazole-4-carbonyl fluoride
PubChem CID172834640
Molecular FormulaC6H5FN2O2S
Molecular Weight188.18 g/mol
Exact Mass188.01
IUPAC Name2-acetamido-1,3-thiazole-4-carbonyl fluoride
SMILESCC(=O)Nc1nc(C(=O)F)cs1
InChIInChI=1S/C6H5FN2O2S/c1-3(10)8-6-9-4(2-12-6)5(7)11/h2H,1H3,(H,8,9,10)
InChIKeyVZGZJMFIQLZHKH-UHFFFAOYSA-N
XLogP1.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamido-4-methylthiazole
CID 280907
2-Acetamido-1,3-thiazole-4-carboxylic acid
CID 840113
Acetamide, N-(4-(trifluoromethyl)-2-thiazolyl)-
CID 1229692
N-(4-methylthiazol-2-yl)propionamide
CID 3613666
2-Amino-1,3-thiazole-4-carboxamide
CID 257149
2,2,2-trifluoro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1229693
2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide
CID 64557722
N-[4-(acetamidocarbamoyl)-1,3-thiazol-2-yl]acetamide
CID 171342076
N-[4-[(propanoylamino)carbamoyl]-1,3-thiazol-2-yl]acetamide
CID 171354610
2,2,2-Trifluoro-N-[4-(trifluoromethyl)-2-thiazolyl]acetamide
CID 15710699
2-Acetylaminothiazol-4-carboxamide
CID 257200
N-methyl-2-propionamidothiazole-4-carboxamide
CID 16915486

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-1,3-thiazole-4-carbonyl fluoride?
The IUPAC name of 2-acetamido-1,3-thiazole-4-carbonyl fluoride (CID 172834640) is 2-acetamido-1,3-thiazole-4-carbonyl fluoride.
What is the SMILES notation for 2-acetamido-1,3-thiazole-4-carbonyl fluoride?
The canonical SMILES for 2-acetamido-1,3-thiazole-4-carbonyl fluoride is CC(=O)Nc1nc(C(=O)F)cs1.
What is the InChIKey of 2-acetamido-1,3-thiazole-4-carbonyl fluoride?
The InChIKey is VZGZJMFIQLZHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O2S/c1-3(10)8-6-9-4(2-12-6)5(7)11/h2H,1H3,(H,8,9,10).
What are the key properties of 2-acetamido-1,3-thiazole-4-carbonyl fluoride?
2-acetamido-1,3-thiazole-4-carbonyl fluoride has a molecular weight of 188.18 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-1,3-thiazole-4-carbonyl fluoride is sourced from PubChem (CID 172834640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).