5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid

C15H16FN3O3S — CID 91953042

IUPAC5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid
SMILESCCc1nnc(NC(=O)CC(CC(=O)O)c2cccc(F)c2)s1
InChIInChI=1S/C15H16FN3O3S/c1-2-13-18-19-15(23-13)17-12(20)7-10(8-14(21)22)9-4-3-5-11(16)6-9/h3-6,10H,2,7-8H2,1H3,(H,21,22)(H,17,19,20)
InChIKeyUCEROISHQXBTPT-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.83
Rot. Bonds7

About 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid

5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid (PubChem CID 91953042) has the molecular formula C15H16FN3O3S and a molecular weight of 337.38 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid
PubChem CID91953042
Molecular FormulaC15H16FN3O3S
Molecular Weight337.38 g/mol
Exact Mass337.09
IUPAC Name5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid
SMILESCCc1nnc(NC(=O)CC(CC(=O)O)c2cccc(F)c2)s1
InChIInChI=1S/C15H16FN3O3S/c1-2-13-18-19-15(23-13)17-12(20)7-10(8-14(21)22)9-4-3-5-11(16)6-9/h3-6,10H,2,7-8H2,1H3,(H,21,22)(H,17,19,20)
InChIKeyUCEROISHQXBTPT-UHFFFAOYSA-N
XLogP2.83
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-ethyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 6500614
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106
(3S)-5-oxo-3-phenyl-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
CID 1085203
1-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea
CID 55695584
2-(3-fluorophenyl)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18076264
(3R)-3-(4-fluorophenyl)-5-[(5-methyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
CID 100816089
(2R)-2-(3-benzoylphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 1019431
2-[benzyl(methyl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 3072301
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 103807918
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
CID 4549395
N-[(1R)-3-oxo-1-phenyl-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 1341172
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 107641923

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid?
The IUPAC name of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid (CID 91953042) is 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid?
The canonical SMILES for 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid is CCc1nnc(NC(=O)CC(CC(=O)O)c2cccc(F)c2)s1.
What is the InChIKey of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid?
The InChIKey is UCEROISHQXBTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S/c1-2-13-18-19-15(23-13)17-12(20)7-10(8-14(21)22)9-4-3-5-11(16)6-9/h3-6,10H,2,7-8H2,1H3,(H,21,22)(H,17,19,20).
What are the key properties of 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid?
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid has a molecular weight of 337.38 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-(3-fluorophenyl)-5-oxopentanoic acid is sourced from PubChem (CID 91953042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).