N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide

C13H13N7O2S — CID 134699156

IUPACN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESCOC(C)c1nnc(NC(=O)c2ccnc(-n3cnnc3)c2)s1
InChIInChI=1S/C13H13N7O2S/c1-8(22-2)12-18-19-13(23-12)17-11(21)9-3-4-14-10(5-9)20-6-15-16-7-20/h3-8H,1-2H3,(H,17,19,21)
InChIKeyLTBIZAHBQMTUJB-UHFFFAOYSA-N
MW331.36 g/mol
LogP1.47
Rot. Bonds5

About N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide

N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (PubChem CID 134699156) has the molecular formula C13H13N7O2S and a molecular weight of 331.36 g/mol. Its IUPAC name is N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
PubChem CID134699156
Molecular FormulaC13H13N7O2S
Molecular Weight331.36 g/mol
Exact Mass331.09
IUPAC NameN-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESCOC(C)c1nnc(NC(=O)c2ccnc(-n3cnnc3)c2)s1
InChIInChI=1S/C13H13N7O2S/c1-8(22-2)12-18-19-13(23-12)17-11(21)9-3-4-14-10(5-9)20-6-15-16-7-20/h3-8H,1-2H3,(H,17,19,21)
InChIKeyLTBIZAHBQMTUJB-UHFFFAOYSA-N
XLogP1.47
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide
CID 134697182
N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890507
ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen
CID 166481214
N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 6497099
3-[[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]amino]benzoic acid
CID 5306824
N-[2-[[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 134706263
3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623875
N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 46993374
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-5-(3-methoxyphenyl)furan-2-carboxamide
CID 134710433
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 134705610
3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247167
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 74247232

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (CID 134699156) is N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is COC(C)c1nnc(NC(=O)c2ccnc(-n3cnnc3)c2)s1.
What is the InChIKey of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The InChIKey is LTBIZAHBQMTUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2S/c1-8(22-2)12-18-19-13(23-12)17-11(21)9-3-4-14-10(5-9)20-6-15-16-7-20/h3-8H,1-2H3,(H,17,19,21).
What are the key properties of N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide has a molecular weight of 331.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 134699156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).