N-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide

C16H14N4O2S — CID 124514193

IUPACN-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCOc1ccccc1[C@@H](NC(=O)c1cnsn1)c1ccccn1
InChIInChI=1S/C16H14N4O2S/c1-22-14-8-3-2-6-11(14)15(12-7-4-5-9-17-12)19-16(21)13-10-18-23-20-13/h2-10,15H,1H3,(H,19,21)/t15-/m1/s1
InChIKeyYZCGTKWLQYLMGY-OAHLLOKOSA-N
MW326.38 g/mol
LogP2.46
Rot. Bonds5

About N-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide

N-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 124514193) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID124514193
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC NameN-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCOc1ccccc1[C@@H](NC(=O)c1cnsn1)c1ccccn1
InChIInChI=1S/C16H14N4O2S/c1-22-14-8-3-2-6-11(14)15(12-7-4-5-9-17-12)19-16(21)13-10-18-23-20-13/h2-10,15H,1H3,(H,19,21)/t15-/m1/s1
InChIKeyYZCGTKWLQYLMGY-OAHLLOKOSA-N
XLogP2.46
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-(2-methoxyphenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,5-thiadiazole-3-carboxamide
CID 124560939
N-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 124514264
(2R)-2-hydroxy-N-[(S)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-2-phenylacetamide
CID 97248197
1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94054970
1-(2-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 66848705
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817
methyl (3R)-3-phenyl-3-(1,2,5-thiadiazole-3-carbonylamino)propanoate
CID 94149809
2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 44765343
5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 93157403
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
N-[3-[(R)-(2-methoxyphenyl)-(pyridin-2-ylamino)methyl]-5-methylthiophen-2-yl]benzamide
CID 93064721
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide (CID 124514193) is N-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide is COc1ccccc1[C@@H](NC(=O)c1cnsn1)c1ccccn1.
What is the InChIKey of N-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is YZCGTKWLQYLMGY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-14-8-3-2-6-11(14)15(12-7-4-5-9-17-12)19-16(21)13-10-18-23-20-13/h2-10,15H,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of N-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide?
N-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2-methoxyphenyl)-pyridin-2-ylmethyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 124514193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).