ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate

C11H17N3O3S — CID 3112368

IUPACethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate
SMILESCCCCC(=O)Nc1nnc(CC(=O)OCC)s1
InChIInChI=1S/C11H17N3O3S/c1-3-5-6-8(15)12-11-14-13-9(18-11)7-10(16)17-4-2/h3-7H2,1-2H3,(H,12,14,15)
InChIKeyLNNAHGMAVSSACK-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.77
Rot. Bonds7

About ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate

ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate (PubChem CID 3112368) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate
PubChem CID3112368
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Nameethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate
SMILESCCCCC(=O)Nc1nnc(CC(=O)OCC)s1
InChIInChI=1S/C11H17N3O3S/c1-3-5-6-8(15)12-11-14-13-9(18-11)7-10(16)17-4-2/h3-7H2,1-2H3,(H,12,14,15)
InChIKeyLNNAHGMAVSSACK-UHFFFAOYSA-N
XLogP1.77
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787271
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 82058147
N-[5-[2-[2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3881316
ethyl 2-[5-[(2-phenylsulfanylacetyl)amino]-1,3,4-thiadiazol-2-yl]acetate
CID 665313
ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
CID 121088928
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
ethyl 2-[5-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
CID 75387743
ethyl 2-[5-[[2-(2-fluorophenoxy)acetyl]amino]-1,3,4-thiadiazol-2-yl]acetate
CID 3721973
ethyl 6-oxo-6-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]hexanoate
CID 3083283
N-(5-methyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 5078577

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate (CID 3112368) is ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate is CCCCC(=O)Nc1nnc(CC(=O)OCC)s1.
What is the InChIKey of ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate?
The InChIKey is LNNAHGMAVSSACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-5-6-8(15)12-11-14-13-9(18-11)7-10(16)17-4-2/h3-7H2,1-2H3,(H,12,14,15).
What are the key properties of ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate?
ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate has a molecular weight of 271.34 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]acetate is sourced from PubChem (CID 3112368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).