N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide

C10H9N3O2S — CID 65215255

IUPACN-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1c(O)cccc1NC(=O)c1cnns1
InChIInChI=1S/C10H9N3O2S/c1-6-7(3-2-4-8(6)14)12-10(15)9-5-11-13-16-9/h2-5,14H,1H3,(H,12,15)
InChIKeyRTMYVBGFDLCCOM-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.80
Rot. Bonds2

About N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide

N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide (PubChem CID 65215255) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide
PubChem CID65215255
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC NameN-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide
SMILESCc1c(O)cccc1NC(=O)c1cnns1
InChIInChI=1S/C10H9N3O2S/c1-6-7(3-2-4-8(6)14)12-10(15)9-5-11-13-16-9/h2-5,14H,1H3,(H,12,15)
InChIKeyRTMYVBGFDLCCOM-UHFFFAOYSA-N
XLogP1.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide
CID 114912815
N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide
CID 47259565
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]thiadiazole-5-carboxamide
CID 55881819
N-(2-chloro-3-pyridinyl)thiadiazole-5-carboxamide
CID 103622836
N-(3-hydroxyphenyl)thiadiazole-5-carboxamide
CID 65215150
5-bromo-N-(3-hydroxy-2-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79990193
N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 65216363
N-[2-(3-aminoprop-1-ynyl)phenyl]thiadiazole-5-carboxamide
CID 65215727
N-(6-chloro-2-pyridinyl)thiadiazole-5-carboxamide
CID 115683223
N-(2,3-dimethylphenyl)-1,2-thiazole-5-carboxamide
CID 110692180
3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216209
N-(3-hydroxy-2-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 64792519

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide (CID 65215255) is N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide is Cc1c(O)cccc1NC(=O)c1cnns1.
What is the InChIKey of N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide?
The InChIKey is RTMYVBGFDLCCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-6-7(3-2-4-8(6)14)12-10(15)9-5-11-13-16-9/h2-5,14H,1H3,(H,12,15).
What are the key properties of N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide?
N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylphenyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 65215255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).