2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C22H19N5O2S — CID 121407700

IUPAC2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCc1nc(O[C@@H](C)c2ccccc2)ccc1C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C22H19N5O2S/c1-14-18(8-9-19(24-14)29-15(2)16-6-4-3-5-7-16)20(28)25-22-27-26-21(30-22)17-10-12-23-13-11-17/h3-13,15H,1-2H3,(H,25,27,28)/t15-/m0/s1
InChIKeyHPJJJWCSFFTVDH-HNNXBMFYSA-N
MW417.49 g/mol
LogP4.70
Rot. Bonds6

About 2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 121407700) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is 2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID121407700
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC Name2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCc1nc(O[C@@H](C)c2ccccc2)ccc1C(=O)Nc1nnc(-c2ccncc2)s1
InChIInChI=1S/C22H19N5O2S/c1-14-18(8-9-19(24-14)29-15(2)16-6-4-3-5-7-16)20(28)25-22-27-26-21(30-22)17-10-12-23-13-11-17/h3-13,15H,1-2H3,(H,25,27,28)/t15-/m0/s1
InChIKeyHPJJJWCSFFTVDH-HNNXBMFYSA-N
XLogP4.70
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407627
5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407459
5-(4-methylpiperazin-1-yl)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407656
2-methyl-6-phenyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 75415459
(2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1245081
3-methoxy-N-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]-4-[(1S)-1-phenylethoxy]benzamide
CID 121407489
4-bromo-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55824791
4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 53369542
2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 166256543
6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407621
ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 165141037
4-chloro-2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pentanamide
CID 155924872

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 121407700) is 2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is Cc1nc(O[C@@H](C)c2ccccc2)ccc1C(=O)Nc1nnc(-c2ccncc2)s1.
What is the InChIKey of 2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is HPJJJWCSFFTVDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-14-18(8-9-19(24-14)29-15(2)16-6-4-3-5-7-16)20(28)25-22-27-26-21(30-22)17-10-12-23-13-11-17/h3-13,15H,1-2H3,(H,25,27,28)/t15-/m0/s1.
What are the key properties of 2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121407700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).