tert-butylazanium;4-ethylthiadiazole-5-carboxylate

C9H17N3O2S — CID 18667662

IUPACtert-butylazanium;4-ethylthiadiazole-5-carboxylate
SMILESCC(C)(C)[NH3+].CCc1nnsc1C(=O)[O-]
InChIInChI=1S/C5H6N2O2S.C4H11N/c1-2-3-4(5(8)9)10-7-6-3;1-4(2,3)5/h2H2,1H3,(H,8,9);5H2,1-3H3
InChIKeyUCRIPANZPSECBG-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.51
Rot. Bonds2

About tert-butylazanium;4-ethylthiadiazole-5-carboxylate

tert-butylazanium;4-ethylthiadiazole-5-carboxylate (PubChem CID 18667662) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is tert-butylazanium;4-ethylthiadiazole-5-carboxylate.

Molecular Properties

Compound Nametert-butylazanium;4-ethylthiadiazole-5-carboxylate
PubChem CID18667662
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Nametert-butylazanium;4-ethylthiadiazole-5-carboxylate
SMILESCC(C)(C)[NH3+].CCc1nnsc1C(=O)[O-]
InChIInChI=1S/C5H6N2O2S.C4H11N/c1-2-3-4(5(8)9)10-7-6-3;1-4(2,3)5/h2H2,1H3,(H,8,9);5H2,1-3H3
InChIKeyUCRIPANZPSECBG-UHFFFAOYSA-N
XLogP-0.51
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethylthiadiazole-5-carbonyl chloride
CID 18524959
4-ethylthiadiazole-5-carboxamide
CID 45084470
N-(1-chloro-2-methylpropan-2-yl)-4-ethylthiadiazole-5-carboxamide
CID 114294992
4-ethyl-N-(2-hydroxy-2-methylpropyl)-N-methylthiadiazole-5-carboxamide
CID 79382432
1-(4-ethylthiadiazol-5-yl)-4,4,4-trifluorobutan-1-one
CID 105106889
3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65206032
2-cyclopropyl-2-[(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65205737
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280
N-(2-tert-butylpyrimidin-5-yl)-4-ethylthiadiazole-5-carboxamide
CID 47418901
N-(3-amino-3-hydroxyimino-2,2-dimethylpropyl)-4-ethylthiadiazole-5-carboxamide
CID 104873808
N-(2-bromo-4,4-dimethylpentyl)-4-ethylthiadiazole-5-carboxamide
CID 107156459

Frequently Asked Questions

What is the IUPAC name of tert-butylazanium;4-ethylthiadiazole-5-carboxylate?
The IUPAC name of tert-butylazanium;4-ethylthiadiazole-5-carboxylate (CID 18667662) is tert-butylazanium;4-ethylthiadiazole-5-carboxylate.
What is the SMILES notation for tert-butylazanium;4-ethylthiadiazole-5-carboxylate?
The canonical SMILES for tert-butylazanium;4-ethylthiadiazole-5-carboxylate is CC(C)(C)[NH3+].CCc1nnsc1C(=O)[O-].
What is the InChIKey of tert-butylazanium;4-ethylthiadiazole-5-carboxylate?
The InChIKey is UCRIPANZPSECBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S.C4H11N/c1-2-3-4(5(8)9)10-7-6-3;1-4(2,3)5/h2H2,1H3,(H,8,9);5H2,1-3H3.
What are the key properties of tert-butylazanium;4-ethylthiadiazole-5-carboxylate?
tert-butylazanium;4-ethylthiadiazole-5-carboxylate has a molecular weight of 231.32 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanium;4-ethylthiadiazole-5-carboxylate is sourced from PubChem (CID 18667662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).