N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide

C11H11N3O2S — CID 64792721

IUPACN-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2snnc2C)cc1O
InChIInChI=1S/C11H11N3O2S/c1-6-3-4-8(5-9(6)15)12-11(16)10-7(2)13-14-17-10/h3-5,15H,1-2H3,(H,12,16)
InChIKeyONGVKZNGBODMID-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.11
Rot. Bonds2

About N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide

N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 64792721) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID64792721
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2snnc2C)cc1O
InChIInChI=1S/C11H11N3O2S/c1-6-3-4-8(5-9(6)15)12-11(16)10-7(2)13-14-17-10/h3-5,15H,1-2H3,(H,12,16)
InChIKeyONGVKZNGBODMID-UHFFFAOYSA-N
XLogP2.11
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(3-hydroxy-4-methylphenyl)thiadiazole-5-carboxamide
CID 65205040
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
N-(2,1,3-benzothiadiazol-5-yl)-4-methylthiadiazole-5-carboxamide
CID 20897506
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
CID 82862458
N-[3-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 63333768
N-(2,3-dihydro-1H-inden-5-yl)-4-methylthiadiazole-5-carboxamide
CID 9087191
2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54926713
N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide
CID 174391939
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 7576779
4-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)thiadiazole-5-carboxamide
CID 43952417
N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 60805127
2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
CID 65346450

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide (CID 64792721) is N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide is Cc1ccc(NC(=O)c2snnc2C)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is ONGVKZNGBODMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-6-3-4-8(5-9(6)15)12-11(16)10-7(2)13-14-17-10/h3-5,15H,1-2H3,(H,12,16).
What are the key properties of N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide?
N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylphenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 64792721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).