4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide

C13H23N3O2S — CID 106512269

IUPAC4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCCCCCCO
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)11-10(19-16-15-11)12(18)14-8-6-4-5-7-9-17/h17H,4-9H2,1-3H3,(H,14,18)
InChIKeySXEBNMALDBGANV-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.12
Rot. Bonds7

About 4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide

4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide (PubChem CID 106512269) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide
PubChem CID106512269
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)NCCCCCCO
InChIInChI=1S/C13H23N3O2S/c1-13(2,3)11-10(19-16-15-11)12(18)14-8-6-4-5-7-9-17/h17H,4-9H2,1-3H3,(H,14,18)
InChIKeySXEBNMALDBGANV-UHFFFAOYSA-N
XLogP2.12
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-(6-chlorohexyl)thiadiazole-5-carboxamide
CID 107847132
N-(4-bromobutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 106845798
N-(4-aminobutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65204953
N-(4-amino-4-sulfanylidenebutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205324
4-tert-butyl-N-(4-chloropentyl)thiadiazole-5-carboxamide
CID 106129514
N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide
CID 115303345
N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
4-tert-butyl-N-[(E)-pent-3-enyl]thiadiazole-5-carboxamide
CID 113465915
4-tert-butyl-N-[(2S)-2-hydroxypropyl]thiadiazole-5-carboxamide
CID 83057848
1-[[(4-tert-butylthiadiazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311960
4-tert-butyl-N-(2,2-dimethoxyethyl)thiadiazole-5-carboxamide
CID 65204875
3-[(4-tert-butylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206184

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide (CID 106512269) is 4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)NCCCCCCO.
What is the InChIKey of 4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide?
The InChIKey is SXEBNMALDBGANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-13(2,3)11-10(19-16-15-11)12(18)14-8-6-4-5-7-9-17/h17H,4-9H2,1-3H3,(H,14,18).
What are the key properties of 4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide has a molecular weight of 285.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(6-hydroxyhexyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 106512269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).