[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate

C17H20N4O4S — CID 2271973

IUPAC[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate
SMILESCCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nnc(C)s1
InChIInChI=1S/C17H20N4O4S/c1-3-7-13(18-15(23)12-8-5-4-6-9-12)16(24)25-10-14(22)19-17-21-20-11(2)26-17/h4-6,8-9,13H,3,7,10H2,1-2H3,(H,18,23)(H,19,21,22)/t13-/m1/s1
InChIKeyDRLGXFWSONEHSS-CYBMUJFWSA-N
MW376.44 g/mol
LogP1.93
Rot. Bonds8

About [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate

[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate (PubChem CID 2271973) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate.

Molecular Properties

Compound Name[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate
PubChem CID2271973
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate
SMILESCCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nnc(C)s1
InChIInChI=1S/C17H20N4O4S/c1-3-7-13(18-15(23)12-8-5-4-6-9-12)16(24)25-10-14(22)19-17-21-20-11(2)26-17/h4-6,8-9,13H,3,7,10H2,1-2H3,(H,18,23)(H,19,21,22)/t13-/m1/s1
InChIKeyDRLGXFWSONEHSS-CYBMUJFWSA-N
XLogP1.93
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl] (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 7567727
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate
CID 2915351
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] (2R)-2-benzamido-4-methylsulfanylbutanoate
CID 2168849
ethyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoate chloride
CID 45108589
ethyl 4-[[2-[(2R)-2-benzamido-4-methylsulfanylbutanoyl]oxyacetyl]amino]benzoate
CID 51448629
N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide
CID 693358
[2-(carbamoylamino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate
CID 42964952
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-benzamido-4-methylsulfanylbutanoate
CID 7028412
[2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 2-benzamido-3-phenylpropanoate
CID 4621212
[2-(4-methylanilino)-2-oxoethyl] (2R)-2-benzamido-3-phenylpropanoate
CID 8821196
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 8821195
ethyl 4-[[2-[(2S)-2-benzamido-4-methylpentanoyl]oxyacetyl]amino]benzoate
CID 42582977

Frequently Asked Questions

What is the IUPAC name of [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate?
The IUPAC name of [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate (CID 2271973) is [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate.
What is the SMILES notation for [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate?
The canonical SMILES for [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate is CCC[C@@H](NC(=O)c1ccccc1)C(=O)OCC(=O)Nc1nnc(C)s1.
What is the InChIKey of [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate?
The InChIKey is DRLGXFWSONEHSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-3-7-13(18-15(23)12-8-5-4-6-9-12)16(24)25-10-14(22)19-17-21-20-11(2)26-17/h4-6,8-9,13H,3,7,10H2,1-2H3,(H,18,23)(H,19,21,22)/t13-/m1/s1.
What are the key properties of [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate?
[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate has a molecular weight of 376.44 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl] (2R)-2-benzamidopentanoate is sourced from PubChem (CID 2271973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).