N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide

C16H13N3O2S — CID 52904761

IUPACN-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCOc1cccc(-c2nsc(NC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C16H13N3O2S/c1-21-13-9-5-8-12(10-13)14-17-16(22-19-14)18-15(20)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,18,19,20)
InChIKeyYGKARVKBEYSDQR-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.47
Rot. Bonds4

About N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide

N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 52904761) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID52904761
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC NameN-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
SMILESCOc1cccc(-c2nsc(NC(=O)c3ccccc3)n2)c1
InChIInChI=1S/C16H13N3O2S/c1-21-13-9-5-8-12(10-13)14-17-16(22-19-14)18-15(20)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,18,19,20)
InChIKeyYGKARVKBEYSDQR-UHFFFAOYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-N-methyl-1,2,4-thiadiazol-5-amine
CID 65268854
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35345269
N-[3-(3-phenoxyphenyl)-1,2,4-thiadiazol-5-yl]thiadiazole-5-carboxamide
CID 95379662
3-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
CID 2241566
N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)-3-methoxybenzamide
CID 25476563
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 17012143
3-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268111
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 17012358
4-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 17013946
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-propoxybenzamide
CID 35345895
2-(3,5-diethyl-1-methylpyrazol-4-yl)-N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 126775905
5-(3-methoxyphenyl)-N-(3-propoxy-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
CID 175167906

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide (CID 52904761) is N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide is COc1cccc(-c2nsc(NC(=O)c3ccccc3)n2)c1.
What is the InChIKey of N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is YGKARVKBEYSDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-21-13-9-5-8-12(10-13)14-17-16(22-19-14)18-15(20)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,18,19,20).
What are the key properties of N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide?
N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 311.37 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 52904761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).