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

C8H10N3O3S- — CID 6924971

IUPAC(3S)-3-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate
SMILESC[C@H](CC(=O)[O-])CC(=O)Nc1nncs1
InChIInChI=1S/C8H11N3O3S/c1-5(3-7(13)14)2-6(12)10-8-11-9-4-15-8/h4-5H,2-3H2,1H3,(H,13,14)(H,10,11,12)/p-1/t5-/m0/s1
InChIKeyOWYYNESMEFQDQD-YFKPBYRVSA-M
MW228.25 g/mol
LogP-0.36
Rot. Bonds5

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

(3S)-3-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate (PubChem CID 6924971) has the molecular formula C8H10N3O3S- and a molecular weight of 228.25 g/mol. Its IUPAC name is (3S)-3-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate.

Molecular Properties

Compound Name(3S)-3-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate
PubChem CID6924971
Molecular FormulaC8H10N3O3S-
Molecular Weight228.25 g/mol
Exact Mass228.04
IUPAC Name(3S)-3-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate
SMILESC[C@H](CC(=O)[O-])CC(=O)Nc1nncs1
InChIInChI=1S/C8H11N3O3S/c1-5(3-7(13)14)2-6(12)10-8-11-9-4-15-8/h4-5H,2-3H2,1H3,(H,13,14)(H,10,11,12)/p-1/t5-/m0/s1
InChIKeyOWYYNESMEFQDQD-YFKPBYRVSA-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

2-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate
CID 3580525
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
2-methoxy-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19183970
(2S)-2-ethyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
CID 750504
2-(diethylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47123067
2-(tert-butylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47277389
2-methyl-3-(methylamino)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 79196071
(3S)-5-oxo-3-phenyl-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
CID 1085203
(3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide
CID 20712410
2-(4-nitrophenyl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 3447971
(2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 13145508
(2S)-2-amino-3-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 61174043

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate?
The IUPAC name of (3S)-3-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate (CID 6924971) is (3S)-3-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate.
What is the SMILES notation for (3S)-3-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate?
The canonical SMILES for (3S)-3-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate is C[C@H](CC(=O)[O-])CC(=O)Nc1nncs1.
What is the InChIKey of (3S)-3-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate?
The InChIKey is OWYYNESMEFQDQD-YFKPBYRVSA-M. The full InChI is InChI=1S/C8H11N3O3S/c1-5(3-7(13)14)2-6(12)10-8-11-9-4-15-8/h4-5H,2-3H2,1H3,(H,13,14)(H,10,11,12)/p-1/t5-/m0/s1.
What are the key properties of (3S)-3-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate?
(3S)-3-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 (3S)-3-methyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoate is sourced from PubChem (CID 6924971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).