(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide

C12H11N7OS2 — CID 51957022

IUPAC(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESC[C@@H](Sc1nncs1)C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C12H11N7OS2/c1-8(22-12-18-15-7-21-12)11(20)17-9-2-3-10(14-4-9)19-6-13-5-16-19/h2-8H,1H3,(H,17,20)/t8-/m1/s1
InChIKeyCXFGGSJXUWPABC-MRVPVSSYSA-N
MW333.40 g/mol
LogP1.63
Rot. Bonds5

About (2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide

(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (PubChem CID 51957022) has the molecular formula C12H11N7OS2 and a molecular weight of 333.40 g/mol. Its IUPAC name is (2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
PubChem CID51957022
Molecular FormulaC12H11N7OS2
Molecular Weight333.40 g/mol
Exact Mass333.05
IUPAC Name(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
SMILESC[C@@H](Sc1nncs1)C(=O)Nc1ccc(-n2cncn2)nc1
InChIInChI=1S/C12H11N7OS2/c1-8(22-12-18-15-7-21-12)11(20)17-9-2-3-10(14-4-9)19-6-13-5-16-19/h2-8H,1H3,(H,17,20)/t8-/m1/s1
InChIKeyCXFGGSJXUWPABC-MRVPVSSYSA-N
XLogP1.63
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-amino-2-methyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 62669805
2-methyl-3-(methylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 79195681
2-methyl-N-[4-[2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoyl]phenyl]propanamide
CID 17442157
1-methyl-1-(3-methylbutan-2-yl)-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 75461242
(2S)-N-(4-morpholin-4-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 7990405
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CID 95323379
(2S)-2-(3,4-difluorophenoxy)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide
CID 94812811
3-(ethylamino)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]butanamide
CID 62839172
1-[1-(furan-2-yl)ethyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 47040652
(2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935752
(2S)-N-(2,6-dimethylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935996
N-propan-2-yl-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 51184249

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The IUPAC name of (2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide (CID 51957022) is (2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for (2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The canonical SMILES for (2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is C[C@@H](Sc1nncs1)C(=O)Nc1ccc(-n2cncn2)nc1.
What is the InChIKey of (2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
The InChIKey is CXFGGSJXUWPABC-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H11N7OS2/c1-8(22-12-18-15-7-21-12)11(20)17-9-2-3-10(14-4-9)19-6-13-5-16-19/h2-8H,1H3,(H,17,20)/t8-/m1/s1.
What are the key properties of (2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide?
(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide has a molecular weight of 333.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 51957022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).