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

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Related Compounds

5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 46964256
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 3910119
3,4-dimethoxy-N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1402200
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17226987
2-butan-2-yloxy-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 126787754
2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid
CID 56920152
4-acetamido-5-chloro-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 4014438
4-chloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 2201164
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1086871
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
4-methoxy-N-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 10570178

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).