N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide

C12H14N4O3S — CID 16673376

IUPACN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide
SMILESCCOCc1nnc(NC(=O)c2ccnc(OC)c2)s1
InChIInChI=1S/C12H14N4O3S/c1-3-19-7-10-15-16-12(20-10)14-11(17)8-4-5-13-9(6-8)18-2/h4-6H,3,7H2,1-2H3,(H,14,16,17)
InChIKeyYOGYVXDBLJPTOC-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.73
Rot. Bonds6

About N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide

N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide (PubChem CID 16673376) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide
PubChem CID16673376
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide
SMILESCCOCc1nnc(NC(=O)c2ccnc(OC)c2)s1
InChIInChI=1S/C12H14N4O3S/c1-3-19-7-10-15-16-12(20-10)14-11(17)8-4-5-13-9(6-8)18-2/h4-6H,3,7H2,1-2H3,(H,14,16,17)
InChIKeyYOGYVXDBLJPTOC-UHFFFAOYSA-N
XLogP1.73
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide?
The IUPAC name of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide (CID 16673376) is N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide is CCOCc1nnc(NC(=O)c2ccnc(OC)c2)s1.
What is the InChIKey of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide?
The InChIKey is YOGYVXDBLJPTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-3-19-7-10-15-16-12(20-10)14-11(17)8-4-5-13-9(6-8)18-2/h4-6H,3,7H2,1-2H3,(H,14,16,17).
What are the key properties of N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide?
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 16673376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).