N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide

C13H14N4O2S — CID 9402765

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide
SMILESCc1nnc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)s1
InChIInChI=1S/C13H14N4O2S/c1-8(10-6-4-3-5-7-10)14-11(18)12(19)15-13-17-16-9(2)20-13/h3-8H,1-2H3,(H,14,18)(H,15,17,19)/t8-/m0/s1
InChIKeyIDPNTNUXOHZABY-QMMMGPOBSA-N
MW290.35 g/mol
LogP1.66
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide (PubChem CID 9402765) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide
PubChem CID9402765
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide
SMILESCc1nnc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)s1
InChIInChI=1S/C13H14N4O2S/c1-8(10-6-4-3-5-7-10)14-11(18)12(19)15-13-17-16-9(2)20-13/h3-8H,1-2H3,(H,14,18)(H,15,17,19)/t8-/m0/s1
InChIKeyIDPNTNUXOHZABY-QMMMGPOBSA-N
XLogP1.66
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-N'-(1-phenylethyl)oxamide
CID 44997308
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[phenyl(pyridin-4-yl)methyl]urea
CID 60565291
N-(2-ethylphenyl)-N'-(5-methyl-1,3,4-thiadiazol-2-yl)oxamide
CID 9402959
N-(5-methyl-2-pyridinyl)-N'-(1-phenylethyl)oxamide
CID 44997207
(2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide
CID 129199722
(3R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 7394287
ethyl (3S)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-3-phenylpropanoate
CID 94782815
(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 890524
N-(4-iodophenyl)-N'-(1-phenylethyl)oxamide
CID 108507943
N-(2-chlorophenyl)-N'-[(1R)-1-phenylethyl]oxamide
CID 2291188
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-propan-2-ylbenzamide
CID 848587
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea
CID 129358685

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide (CID 9402765) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide is Cc1nnc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide?
The InChIKey is IDPNTNUXOHZABY-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-8(10-6-4-3-5-7-10)14-11(18)12(19)15-13-17-16-9(2)20-13/h3-8H,1-2H3,(H,14,18)(H,15,17,19)/t8-/m0/s1.
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide has a molecular weight of 290.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide is sourced from PubChem (CID 9402765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).