N-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide

C11H11N3O2S — CID 87032400

IUPACN-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnsn2)cc1C
InChIInChI=1S/C11H11N3O2S/c1-7-5-8(3-4-10(7)16-2)13-11(15)9-6-12-17-14-9/h3-6H,1-2H3,(H,13,15)
InChIKeyPYTJAKTUAQILCU-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.11
Rot. Bonds3

About N-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide

N-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 87032400) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID87032400
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC NameN-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cnsn2)cc1C
InChIInChI=1S/C11H11N3O2S/c1-7-5-8(3-4-10(7)16-2)13-11(15)9-6-12-17-14-9/h3-6H,1-2H3,(H,13,15)
InChIKeyPYTJAKTUAQILCU-UHFFFAOYSA-N
XLogP2.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydrazinyl-N-(4-methoxy-3-methylphenyl)pyridine-2-carboxamide
CID 104642300
4-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 81227052
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
4-(ethylamino)-N-(4-methoxy-3-methylphenyl)pyridine-2-carboxamide
CID 62181190
N-(4-methoxy-3-methylphenyl)-4-sulfanylbenzamide
CID 107025570
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
5-chloro-2-fluoro-N-(4-methoxy-3-methylphenyl)benzamide
CID 61073474
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257
6-(ethylamino)-N-(4-methoxy-3-methylphenyl)pyridine-2-carboxamide
CID 62238808
5-chloro-2-hydroxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 47317877
2-hydroxy-N-(4-methoxy-3-methylphenyl)-4-methylbenzamide
CID 47317808
2-methoxy-N-(4-methoxy-3-methylphenyl)propanamide
CID 47317942

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide (CID 87032400) is N-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide is COc1ccc(NC(=O)c2cnsn2)cc1C.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is PYTJAKTUAQILCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-5-8(3-4-10(7)16-2)13-11(15)9-6-12-17-14-9/h3-6H,1-2H3,(H,13,15).
What are the key properties of N-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide?
N-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 249.30 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 87032400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).