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

C11H11N3OS — CID 7213179

IUPACN-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cnsn2)cc1
InChIInChI=1S/C11H11N3OS/c1-2-8-3-5-9(6-4-8)13-11(15)10-7-12-16-14-10/h3-7H,2H2,1H3,(H,13,15)
InChIKeyWMGJCBKHOIHBAH-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.35
Rot. Bonds3

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

N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 7213179) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID7213179
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cnsn2)cc1
InChIInChI=1S/C11H11N3OS/c1-2-8-3-5-9(6-4-8)13-11(15)10-7-12-16-14-10/h3-7H,2H2,1H3,(H,13,15)
InChIKeyWMGJCBKHOIHBAH-UHFFFAOYSA-N
XLogP2.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 64794845
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 47260947
N-(4-ethylphenyl)thiadiazole-4-carboxamide
CID 1454928
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
N-(4-ethylphenyl)-6-methylpyridazine-3-carboxamide
CID 110705292
N-(4-ethylphenyl)benzamide
CID 774063
6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178
N-(4-ethylphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110857781
3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369156
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-[[4-(hydroxymethyl)phenyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 107232610
N-(4-ethylphenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62248142

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide (CID 7213179) is N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide is CCc1ccc(NC(=O)c2cnsn2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is WMGJCBKHOIHBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-2-8-3-5-9(6-4-8)13-11(15)10-7-12-16-14-10/h3-7H,2H2,1H3,(H,13,15).
What are the key properties of N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide?
N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 7213179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).