N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide

C18H19N5O2S — CID 51294386

IUPACN-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)C(C)Sc2nc3ncccn3n2)cc1
InChIInChI=1S/C18H19N5O2S/c1-12(26-18-21-17-20-9-3-11-23(17)22-18)16(25)15-6-4-14(5-7-15)8-10-19-13(2)24/h3-7,9,11-12H,8,10H2,1-2H3,(H,19,24)
InChIKeyAZQOWVYNLFLLFT-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.17
Rot. Bonds7

About N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide

N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide (PubChem CID 51294386) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide
PubChem CID51294386
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)C(C)Sc2nc3ncccn3n2)cc1
InChIInChI=1S/C18H19N5O2S/c1-12(26-18-21-17-20-9-3-11-23(17)22-18)16(25)15-6-4-14(5-7-15)8-10-19-13(2)24/h3-7,9,11-12H,8,10H2,1-2H3,(H,19,24)
InChIKeyAZQOWVYNLFLLFT-UHFFFAOYSA-N
XLogP2.17
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide with MolForge

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Related Compounds

(2R)-1-(4-tert-butylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propan-1-one
CID 41351728
(2R)-N-(ethylcarbamoyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 40853802
N-[(2-chlorophenyl)methyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 42928937
N-[2-[4-[(2S)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]phenyl]ethyl]acetamide
CID 33297739
(2S)-1-(2-methyl-1H-indol-3-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propan-1-one
CID 41351952
N-[(3-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanamide
CID 42886860
1-(4-ethylphenyl)-2-pyrimidin-2-ylsulfanylpropan-1-one
CID 43412165
N-[2-[4-(dimethylamino)phenyl]ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46981638
N-(3-phenylpropyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 37196826
(2S)-1-(4-methylpiperidin-1-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propan-1-one
CID 41351870
(2S)-1-(4-phenylpiperazin-1-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propan-1-one
CID 41354285
N-[2-[4-[2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]phenyl]ethyl]acetamide
CID 46638648

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide (CID 51294386) is N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)C(C)Sc2nc3ncccn3n2)cc1.
What is the InChIKey of N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide?
The InChIKey is AZQOWVYNLFLLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-12(26-18-21-17-20-9-3-11-23(17)22-18)16(25)15-6-4-14(5-7-15)8-10-19-13(2)24/h3-7,9,11-12H,8,10H2,1-2H3,(H,19,24).
What are the key properties of N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide?
N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propanoyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 51294386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).