(2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide

C15H12Cl2N4OS — CID 7878435

IUPAC(2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide
SMILESC[C@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)Nc1ccccc1
InChIInChI=1S/C15H12Cl2N4OS/c1-9(14(22)18-11-5-3-2-4-6-11)23-15-20-19-13-12(17)7-10(16)8-21(13)15/h2-9H,1H3,(H,18,22)/t9-/m0/s1
InChIKeyJSJFDTFWYBGAQB-VIFPVBQESA-N
MW367.26 g/mol
LogP4.16
Rot. Bonds4

About (2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide

(2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide (PubChem CID 7878435) has the molecular formula C15H12Cl2N4OS and a molecular weight of 367.26 g/mol. Its IUPAC name is (2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide
PubChem CID7878435
Molecular FormulaC15H12Cl2N4OS
Molecular Weight367.26 g/mol
Exact Mass366.01
IUPAC Name(2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide
SMILESC[C@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)Nc1ccccc1
InChIInChI=1S/C15H12Cl2N4OS/c1-9(14(22)18-11-5-3-2-4-6-11)23-15-20-19-13-12(17)7-10(16)8-21(13)15/h2-9H,1H3,(H,18,22)/t9-/m0/s1
InChIKeyJSJFDTFWYBGAQB-VIFPVBQESA-N
XLogP4.16
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide
CID 7878407
(2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 7878264
(2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide
CID 8997100
N-[4-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanoyl]phenyl]-2,2-dimethylpropanamide
CID 55357850
1-(4-chlorophenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-1-one
CID 42977553
2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 55422790
(2R)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7878498
(2S)-N-(1-cyanocyclohexyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide
CID 7878530
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide
CID 55422934
(2R)-2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)propanamide
CID 7269814
(2R)-2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)propanamide
CID 7955116
2-[[4-acetyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide
CID 71006617

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide (CID 7878435) is (2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide is C[C@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide?
The InChIKey is JSJFDTFWYBGAQB-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12Cl2N4OS/c1-9(14(22)18-11-5-3-2-4-6-11)23-15-20-19-13-12(17)7-10(16)8-21(13)15/h2-9H,1H3,(H,18,22)/t9-/m0/s1.
What are the key properties of (2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide?
(2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide has a molecular weight of 367.26 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 7878435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).