methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate

C12H19N3O3S — CID 60758601

IUPACmethyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1snnc1CC)C(=O)OC
InChIInChI=1S/C12H19N3O3S/c1-5-7-12(3,11(17)18-4)13-10(16)9-8(6-2)14-15-19-9/h5-7H2,1-4H3,(H,13,16)
InChIKeyPTPOFODLRUQHHX-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.56
Rot. Bonds6

About methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate

methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate (PubChem CID 60758601) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate
PubChem CID60758601
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Namemethyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1snnc1CC)C(=O)OC
InChIInChI=1S/C12H19N3O3S/c1-5-7-12(3,11(17)18-4)13-10(16)9-8(6-2)14-15-19-9/h5-7H2,1-4H3,(H,13,16)
InChIKeyPTPOFODLRUQHHX-UHFFFAOYSA-N
XLogP1.56
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate (CID 60758601) is methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate is CCCC(C)(NC(=O)c1snnc1CC)C(=O)OC.
What is the InChIKey of methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate?
The InChIKey is PTPOFODLRUQHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-5-7-12(3,11(17)18-4)13-10(16)9-8(6-2)14-15-19-9/h5-7H2,1-4H3,(H,13,16).
What are the key properties of methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate?
methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate has a molecular weight of 285.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpentanoate is sourced from PubChem (CID 60758601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).