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

C12H19N3O3S — CID 60693506

IUPACmethyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-methylpentanoate
SMILESCCc1nnsc1C(=O)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C12H19N3O3S/c1-5-8-10(19-15-14-8)11(16)13-9(6-7(2)3)12(17)18-4/h7,9H,5-6H2,1-4H3,(H,13,16)
InChIKeyUOKXYLWHWNEPFM-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.42
Rot. Bonds6

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

methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-methylpentanoate (PubChem CID 60693506) 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]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-methylpentanoate
PubChem CID60693506
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Namemethyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-methylpentanoate
SMILESCCc1nnsc1C(=O)NC(CC(C)C)C(=O)OC
InChIInChI=1S/C12H19N3O3S/c1-5-8-10(19-15-14-8)11(16)13-9(6-7(2)3)12(17)18-4/h7,9H,5-6H2,1-4H3,(H,13,16)
InChIKeyUOKXYLWHWNEPFM-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
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]-4-methylpentanoate?
The IUPAC name of methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-methylpentanoate (CID 60693506) is methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-methylpentanoate is CCc1nnsc1C(=O)NC(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-methylpentanoate?
The InChIKey is UOKXYLWHWNEPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-5-8-10(19-15-14-8)11(16)13-9(6-7(2)3)12(17)18-4/h7,9H,5-6H2,1-4H3,(H,13,16).
What are the key properties of methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-methylpentanoate?
methyl 2-[(4-ethylthiadiazole-5-carbonyl)amino]-4-methylpentanoate has a molecular weight of 285.37 g/mol, XLogP of 1.42, 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]-4-methylpentanoate is sourced from PubChem (CID 60693506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).