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

C7H7FN2O2S — CID 139490868

IUPACN-(4-fluoro-5-formyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc(F)c(C=O)s1
InChIInChI=1S/C7H7FN2O2S/c1-2-5(12)9-7-10-6(8)4(3-11)13-7/h3H,2H2,1H3,(H,9,10,12)
InChIKeyZROSCGYJOGBXLH-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.44
Rot. Bonds3

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

N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)propanamide (PubChem CID 139490868) has the molecular formula C7H7FN2O2S and a molecular weight of 202.21 g/mol. Its IUPAC name is N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-fluoro-5-formyl-1,3-thiazol-2-yl)propanamide
PubChem CID139490868
Molecular FormulaC7H7FN2O2S
Molecular Weight202.21 g/mol
Exact Mass202.02
IUPAC NameN-(4-fluoro-5-formyl-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc(F)c(C=O)s1
InChIInChI=1S/C7H7FN2O2S/c1-2-5(12)9-7-10-6(8)4(3-11)13-7/h3H,2H2,1H3,(H,9,10,12)
InChIKeyZROSCGYJOGBXLH-UHFFFAOYSA-N
XLogP1.44
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.44
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

N-(4-Chloro-5-formyl-2-thiazolyl)acetamide
CID 130013822
tert-Butyl (4-fluoro-5-formylthiazol-2-yl)carbamate
CID 135260631
N-(4-Fluoro-5-formylthiazol-2-yl)acetamide
CID 135260649
4-Fluoro-2-(1-hydroxyethylamino)-1,3-thiazole-5-carbaldehyde
CID 139394052
(4-Fluoro-5-formyl-1,3-thiazol-2-yl)carbamic acid
CID 146317030
Methyl 2-acetamido-4-fluoro-1,3-thiazole-5-carboxylate
CID 146448556
2-Amino-4-fluorothiazole-5-carbaldehyde
CID 146448558
2-Acetamido-4-fluoro-1,3-thiazole-5-carboxylic acid
CID 146448583
4-Fluoro-2-(2-oxopropylamino)-1,3-thiazole-5-carbaldehyde
CID 153550334
N-(4-fluoro-5-methyl-1,3-thiazol-2-yl)acetamide
CID 154685661
N-[4-fluoro-5-(2-oxoethyl)-1,3-thiazol-2-yl]acetamide
CID 167227362
N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)formamide
CID 167227363

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)propanamide (CID 139490868) is N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)propanamide is CCC(=O)Nc1nc(F)c(C=O)s1.
What is the InChIKey of N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is ZROSCGYJOGBXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2S/c1-2-5(12)9-7-10-6(8)4(3-11)13-7/h3H,2H2,1H3,(H,9,10,12).
What are the key properties of N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)propanamide?
N-(4-fluoro-5-formyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 202.21 g/mol, XLogP of 1.44, 3 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)propanamide is sourced from PubChem (CID 139490868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).