4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide

C11H19N3O2S — CID 65210106

IUPAC4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
SMILESCCN(CCO)C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H19N3O2S/c1-5-14(6-7-15)10(16)8-9(11(2,3)4)12-13-17-8/h15H,5-7H2,1-4H3
InChIKeyJGNGIQBUEBAEMU-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.29
Rot. Bonds4

About 4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide

4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide (PubChem CID 65210106) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
PubChem CID65210106
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide
SMILESCCN(CCO)C(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H19N3O2S/c1-5-14(6-7-15)10(16)8-9(11(2,3)4)12-13-17-8/h15H,5-7H2,1-4H3
InChIKeyJGNGIQBUEBAEMU-UHFFFAOYSA-N
XLogP1.29
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide (CID 65210106) is 4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide is CCN(CCO)C(=O)c1snnc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
The InChIKey is JGNGIQBUEBAEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-5-14(6-7-15)10(16)8-9(11(2,3)4)12-13-17-8/h15H,5-7H2,1-4H3.
What are the key properties of 4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide?
4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide has a molecular weight of 257.36 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethyl-N-(2-hydroxyethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65210106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).