2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate

C8H10N3O3S- — CID 3580525

IUPAC2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate
SMILESCC(CCC(=O)Nc1nncs1)C(=O)[O-]
InChIInChI=1S/C8H11N3O3S/c1-5(7(13)14)2-3-6(12)10-8-11-9-4-15-8/h4-5H,2-3H2,1H3,(H,13,14)(H,10,11,12)/p-1
InChIKeyWFQWOEQIDCFCFG-UHFFFAOYSA-M
MW228.25 g/mol
LogP-0.36
Rot. Bonds5

About 2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate

2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate (PubChem CID 3580525) has the molecular formula C8H10N3O3S- and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate.

Molecular Properties

Compound Name2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate
PubChem CID3580525
Molecular FormulaC8H10N3O3S-
Molecular Weight228.25 g/mol
Exact Mass228.04
IUPAC Name2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate
SMILESCC(CCC(=O)Nc1nncs1)C(=O)[O-]
InChIInChI=1S/C8H11N3O3S/c1-5(7(13)14)2-3-6(12)10-8-11-9-4-15-8/h4-5H,2-3H2,1H3,(H,13,14)(H,10,11,12)/p-1
InChIKeyWFQWOEQIDCFCFG-UHFFFAOYSA-M
XLogP-0.36
TPSA95.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
(2S)-2-ethyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
CID 750504
(3S)-3-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate
CID 6924971
2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 79196071
2-methoxy-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19183970
2-methyl-4-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 80540120
2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid
CID 61193061
2-(tert-butylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47277389
2-(diethylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47123067
N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 29369897
N-[6-(3-methylbutyl)-6-azaspiro[2.5]octan-2-yl]-N'-(1,3,4-thiadiazol-2-yl)butanediamide
CID 170502518
N'-[1-(3-methyl-2-pyridinyl)ethyl]-N-(1,3,4-thiadiazol-2-yl)butanediamide
CID 131916522

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate?
The IUPAC name of 2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate (CID 3580525) is 2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate.
What is the SMILES notation for 2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate?
The canonical SMILES for 2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate is CC(CCC(=O)Nc1nncs1)C(=O)[O-].
What is the InChIKey of 2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate?
The InChIKey is WFQWOEQIDCFCFG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11N3O3S/c1-5(7(13)14)2-3-6(12)10-8-11-9-4-15-8/h4-5H,2-3H2,1H3,(H,13,14)(H,10,11,12)/p-1.
What are the key properties of 2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate?
2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate has a molecular weight of 228.25 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate is sourced from PubChem (CID 3580525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).