4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide

C13H23N3O3S — CID 106512254

IUPAC4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide
SMILESCOCCC(C)(O)CNC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C13H23N3O3S/c1-12(2,3)10-9(20-16-15-10)11(17)14-8-13(4,18)6-7-19-5/h18H,6-8H2,1-5H3,(H,14,17)
InChIKeyVRYRMJADCFLYCW-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.35
Rot. Bonds6

About 4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide

4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide (PubChem CID 106512254) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide
PubChem CID106512254
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide
SMILESCOCCC(C)(O)CNC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C13H23N3O3S/c1-12(2,3)10-9(20-16-15-10)11(17)14-8-13(4,18)6-7-19-5/h18H,6-8H2,1-5H3,(H,14,17)
InChIKeyVRYRMJADCFLYCW-UHFFFAOYSA-N
XLogP1.35
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide (CID 106512254) is 4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide is COCCC(C)(O)CNC(=O)c1snnc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide?
The InChIKey is VRYRMJADCFLYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-12(2,3)10-9(20-16-15-10)11(17)14-8-13(4,18)6-7-19-5/h18H,6-8H2,1-5H3,(H,14,17).
What are the key properties of 4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 106512254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).