N-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide

C13H15N3O2S — CID 7293433

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2snnc2C)cc1
InChIInChI=1S/C13H15N3O2S/c1-9-12(19-16-15-9)13(17)14-8-7-10-3-5-11(18-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeySAYBFLUBUHNDEB-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 7293433) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide
PubChem CID7293433
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2snnc2C)cc1
InChIInChI=1S/C13H15N3O2S/c1-9-12(19-16-15-9)13(17)14-8-7-10-3-5-11(18-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,14,17)
InChIKeySAYBFLUBUHNDEB-UHFFFAOYSA-N
XLogP1.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide (CID 7293433) is N-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide is COc1ccc(CCNC(=O)c2snnc2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is SAYBFLUBUHNDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-12(19-16-15-9)13(17)14-8-7-10-3-5-11(18-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7293433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).