N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide

C6H5FN2O2S — CID 135260649

IUPACN-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(F)c(C=O)s1
InChIInChI=1S/C6H5FN2O2S/c1-3(11)8-6-9-5(7)4(2-10)12-6/h2H,1H3,(H,8,9,11)
InChIKeyMDUZWICIRWGKLU-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.05
Rot. Bonds2

About N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide

N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide (PubChem CID 135260649) has the molecular formula C6H5FN2O2S and a molecular weight of 188.18 g/mol. Its IUPAC name is N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide
PubChem CID135260649
Molecular FormulaC6H5FN2O2S
Molecular Weight188.18 g/mol
Exact Mass188.01
IUPAC NameN-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(F)c(C=O)s1
InChIInChI=1S/C6H5FN2O2S/c1-3(11)8-6-9-5(7)4(2-10)12-6/h2H,1H3,(H,8,9,11)
InChIKeyMDUZWICIRWGKLU-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide
CID 156905309
N-[5-amino-4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 82342305
N-(4,6-diacetamido-1,3,5-triazin-2-yl)acetamide
CID 21856
2-acetamido-5-(4-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 89410381
N-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide
CID 54507195
N-(5-acetyl-1,3-thiazol-2-yl)acetamide;hydrobromide
CID 141437106
diethyl 2-acetamido-1,3-thiazole-4,5-dicarboxylate
CID 20788327
N-[5-[(2-acetamido-4-phenyl-1,3-thiazol-5-yl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 14201120
N-[4-chloro-5-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]acetamide
CID 171646338
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
2-(2-acetamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058750
2-acetamido-4-methyl-1,3-thiazole-5-sulfonic acid;hydrochloride
CID 174820406

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide (CID 135260649) is N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1nc(F)c(C=O)s1.
What is the InChIKey of N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MDUZWICIRWGKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O2S/c1-3(11)8-6-9-5(7)4(2-10)12-6/h2H,1H3,(H,8,9,11).
What are the key properties of N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide?
N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 188.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 135260649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).