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

C9H13N3O4S — CID 166315155

IUPAC5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid
SMILESCCOc1nnc(NC(=O)CCCC(=O)O)s1
InChIInChI=1S/C9H13N3O4S/c1-2-16-9-12-11-8(17-9)10-6(13)4-3-5-7(14)15/h2-5H2,1H3,(H,14,15)(H,10,11,13)
InChIKeyLMZUNWSVWRRUGG-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.13
Rot. Bonds7

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

5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid (PubChem CID 166315155) has the molecular formula C9H13N3O4S and a molecular weight of 259.29 g/mol. Its IUPAC name is 5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid
PubChem CID166315155
Molecular FormulaC9H13N3O4S
Molecular Weight259.29 g/mol
Exact Mass259.06
IUPAC Name5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid
SMILESCCOc1nnc(NC(=O)CCCC(=O)O)s1
InChIInChI=1S/C9H13N3O4S/c1-2-16-9-12-11-8(17-9)10-6(13)4-3-5-7(14)15/h2-5H2,1H3,(H,14,15)(H,10,11,13)
InChIKeyLMZUNWSVWRRUGG-UHFFFAOYSA-N
XLogP1.13
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 82058147
ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate
CID 3112368
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 5179103
6-oxo-6-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]hexanoic acid
CID 167951864
5-oxo-5-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pentanoic acid
CID 87954674
7-[[5-[2-(methylamino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]amino]-7-oxoheptanoic acid
CID 166394237
N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
methyl 5-oxo-5-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]pentanoate
CID 126796489
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide
CID 7943879
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577
N-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 71392216
5-(3,4-diethoxyanilino)-5-oxopentanoic acid
CID 43396454

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid (CID 166315155) is 5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid is CCOc1nnc(NC(=O)CCCC(=O)O)s1.
What is the InChIKey of 5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is LMZUNWSVWRRUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4S/c1-2-16-9-12-11-8(17-9)10-6(13)4-3-5-7(14)15/h2-5H2,1H3,(H,14,15)(H,10,11,13).
What are the key properties of 5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid?
5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 259.29 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethoxy-1,3,4-thiadiazol-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 166315155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).