2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C14H11N5O2S — CID 167988705

IUPAC2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C14H11N5O2S/c1-21-12-9(5-4-8-16-12)11(20)17-14-19-18-13(22-14)10-6-2-3-7-15-10/h2-8H,1H3,(H,17,19,20)
InChIKeyYYNSJQTTYHDZMR-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.26
Rot. Bonds4

About 2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 167988705) has the molecular formula C14H11N5O2S and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID167988705
Molecular FormulaC14H11N5O2S
Molecular Weight313.34 g/mol
Exact Mass313.06
IUPAC Name2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C14H11N5O2S/c1-21-12-9(5-4-8-16-12)11(20)17-14-19-18-13(22-14)10-6-2-3-7-15-10/h2-8H,1H3,(H,17,19,20)
InChIKeyYYNSJQTTYHDZMR-UHFFFAOYSA-N
XLogP2.26
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylpropoxy)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 167890444
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47857402
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46557890
2-(2-methoxyethoxy)-N-(5-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 167988399
2-methyl-6-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 75415459
5-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 167804421
2-(1-methylpyrazol-4-yl)oxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 167804601
2-(2-methoxyethylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 119855748
4-chloro-2-iodo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 55810604
N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
CID 167744287
2-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-7-carboxamide
CID 167956308
2-methoxy-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46557524

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 167988705) is 2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is COc1ncccc1C(=O)Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of 2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is YYNSJQTTYHDZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2S/c1-21-12-9(5-4-8-16-12)11(20)17-14-19-18-13(22-14)10-6-2-3-7-15-10/h2-8H,1H3,(H,17,19,20).
What are the key properties of 2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 167988705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).