4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide

C14H17N3O2S — CID 65205040

IUPAC4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2snnc2C(C)(C)C)cc1O
InChIInChI=1S/C14H17N3O2S/c1-8-5-6-9(7-10(8)18)15-13(19)11-12(14(2,3)4)16-17-20-11/h5-7,18H,1-4H3,(H,15,19)
InChIKeyQTFIZOBJKFPTEF-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.10
Rot. Bonds2

About 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide

4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide (PubChem CID 65205040) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide
PubChem CID65205040
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2snnc2C(C)(C)C)cc1O
InChIInChI=1S/C14H17N3O2S/c1-8-5-6-9(7-10(8)18)15-13(19)11-12(14(2,3)4)16-17-20-11/h5-7,18H,1-4H3,(H,15,19)
InChIKeyQTFIZOBJKFPTEF-UHFFFAOYSA-N
XLogP3.10
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
CID 64792721
N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205586
4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide
CID 99792709
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
(4-tert-butylthiadiazol-5-yl)-(3-chloro-4-methylphenyl)methanone
CID 107561535
N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 60805127
5-tert-butyl-N-(3-hydroxy-4-methylphenyl)-1H-1,2,4-triazole-3-carboxamide
CID 107701789
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 63333768
N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide
CID 20897506
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
CID 82862458
2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
CID 65205295
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide (CID 65205040) is 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide is Cc1ccc(NC(=O)c2snnc2C(C)(C)C)cc1O.
What is the InChIKey of 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide?
The InChIKey is QTFIZOBJKFPTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-5-6-9(7-10(8)18)15-13(19)11-12(14(2,3)4)16-17-20-11/h5-7,18H,1-4H3,(H,15,19).
What are the key properties of 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide?
4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65205040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).