[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate

C16H17N3O4S — CID 8535146

IUPAC[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C16H17N3O4S/c1-4-13-14(24-19-18-13)16(22)23-10(3)15(21)17-12-7-5-6-11(8-12)9(2)20/h5-8,10H,4H2,1-3H3,(H,17,21)/t10-/m1/s1
InChIKeyBXOLTZBQODPKFU-SNVBAGLBSA-N
MW347.40 g/mol
LogP2.49
Rot. Bonds6

About [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate (PubChem CID 8535146) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
PubChem CID8535146
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
SMILESCCc1nnsc1C(=O)O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C16H17N3O4S/c1-4-13-14(24-19-18-13)16(22)23-10(3)15(21)17-12-7-5-6-11(8-12)9(2)20/h5-8,10H,4H2,1-3H3,(H,17,21)/t10-/m1/s1
InChIKeyBXOLTZBQODPKFU-SNVBAGLBSA-N
XLogP2.49
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
CID 8535395
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate
CID 8535392
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
[1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 6915084
[1-(3-acetylanilino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 6915148
[1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 46825916
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842363
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7780965
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8617755
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 8606094
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] pentanoate
CID 7790319
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate?
The IUPAC name of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate (CID 8535146) is [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate.
What is the SMILES notation for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate?
The canonical SMILES for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate is CCc1nnsc1C(=O)O[C@H](C)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate?
The InChIKey is BXOLTZBQODPKFU-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-4-13-14(24-19-18-13)16(22)23-10(3)15(21)17-12-7-5-6-11(8-12)9(2)20/h5-8,10H,4H2,1-3H3,(H,17,21)/t10-/m1/s1.
What are the key properties of [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate?
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate has a molecular weight of 347.40 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-ethylthiadiazole-5-carboxylate is sourced from PubChem (CID 8535146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).