2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

C13H15FN4OS — CID 1361150

IUPAC2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CNc2ccc(F)cc2)s1
InChIInChI=1S/C13H15FN4OS/c1-2-3-12-17-18-13(20-12)16-11(19)8-15-10-6-4-9(14)5-7-10/h4-7,15H,2-3,8H2,1H3,(H,16,18,19)
InChIKeyWUVLYGVFHQIPIF-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.68
Rot. Bonds6

About 2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1361150) has the molecular formula C13H15FN4OS and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1361150
Molecular FormulaC13H15FN4OS
Molecular Weight294.35 g/mol
Exact Mass294.10
IUPAC Name2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCCc1nnc(NC(=O)CNc2ccc(F)cc2)s1
InChIInChI=1S/C13H15FN4OS/c1-2-3-12-17-18-13(20-12)16-11(19)8-15-10-6-4-9(14)5-7-10/h4-7,15H,2-3,8H2,1H3,(H,16,18,19)
InChIKeyWUVLYGVFHQIPIF-UHFFFAOYSA-N
XLogP2.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Succinamide, N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-N'-phenyl-
CID 1390721
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1477404
2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-N-(5-phenyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 653858
2-(5-{[(4-fluorophenyl)carbamoyl]amino}-1,3,4-thiadiazol-2-yl)-N-phenylacetamide
CID 1394324
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-4-(4-phenylpiperazin-1-yl)butanamide
CID 1398515
N-(4-fluorophenyl)-2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 2501872
N~2~-(5-ethyl-1,3,4-thiadiazol-2-yl)-N~1~-phenylpyrrolidine-1,2-dicarboxamide
CID 4919394
N1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N4-phenylsuccinamide
CID 663467
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
CID 1399251
Pyrrolidine-1,2-dicarboxylic acid 2-[(5-isopropyl-[1,3,4]thiadiazol-2-yl)-amide] 1-phenylamide
CID 24792566
N-(4-Fluoro-phenyl)-N'-(5-isobutyl-[1,3,4]thiadiazol-2-yl)-succinamide
CID 1399856
N-(4-fluorophenyl)-N'-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 663975

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide (CID 1361150) is 2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is CCCc1nnc(NC(=O)CNc2ccc(F)cc2)s1.
What is the InChIKey of 2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is WUVLYGVFHQIPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4OS/c1-2-3-12-17-18-13(20-12)16-11(19)8-15-10-6-4-9(14)5-7-10/h4-7,15H,2-3,8H2,1H3,(H,16,18,19).
What are the key properties of 2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 294.35 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1361150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).