(2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide

C13H16Cl2N4OS — CID 8997100

IUPAC(2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)NC(C)(C)C
InChIInChI=1S/C13H16Cl2N4OS/c1-7(11(20)16-13(2,3)4)21-12-18-17-10-9(15)5-8(14)6-19(10)12/h5-7H,1-4H3,(H,16,20)/t7-/m1/s1
InChIKeySMKLPMJRLTZJQW-SSDOTTSWSA-N
MW347.27 g/mol
LogP3.43
Rot. Bonds3

About (2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide

(2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide (PubChem CID 8997100) has the molecular formula C13H16Cl2N4OS and a molecular weight of 347.27 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide
PubChem CID8997100
Molecular FormulaC13H16Cl2N4OS
Molecular Weight347.27 g/mol
Exact Mass346.04
IUPAC Name(2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide
SMILESC[C@@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)NC(C)(C)C
InChIInChI=1S/C13H16Cl2N4OS/c1-7(11(20)16-13(2,3)4)21-12-18-17-10-9(15)5-8(14)6-19(10)12/h5-7H,1-4H3,(H,16,20)/t7-/m1/s1
InChIKeySMKLPMJRLTZJQW-SSDOTTSWSA-N
XLogP3.43
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-phenylpropanamide
CID 7878435
1-(4-chlorophenyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propan-1-one
CID 42977553
(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
N-[4-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanoyl]phenyl]-2,2-dimethylpropanamide
CID 55357850
(2S)-N-(1-cyanocyclohexyl)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide
CID 7878530
(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
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
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
(2R)-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 27963501
(2S)-N-tert-butyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 8736537
(2S)-2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 98680953

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide (CID 8997100) is (2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide is C[C@@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide?
The InChIKey is SMKLPMJRLTZJQW-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H16Cl2N4OS/c1-7(11(20)16-13(2,3)4)21-12-18-17-10-9(15)5-8(14)6-19(10)12/h5-7H,1-4H3,(H,16,20)/t7-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide?
(2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide has a molecular weight of 347.27 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]propanamide is sourced from PubChem (CID 8997100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).