(2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide

C19H23N5OS — CID 51952063

IUPAC(2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
SMILESCCN(C(=O)[C@H](C)Sc1nc2nc(C)c(C)c(C)n2n1)c1ccccc1
InChIInChI=1S/C19H23N5OS/c1-6-23(16-10-8-7-9-11-16)17(25)15(5)26-19-21-18-20-13(3)12(2)14(4)24(18)22-19/h7-11,15H,6H2,1-5H3/t15-/m0/s1
InChIKeyAFHRXTBAJGDNBA-HNNXBMFYSA-N
MW369.49 g/mol
LogP3.58
Rot. Bonds5

About (2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide

(2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 51952063) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is (2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID51952063
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name(2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
SMILESCCN(C(=O)[C@H](C)Sc1nc2nc(C)c(C)c(C)n2n1)c1ccccc1
InChIInChI=1S/C19H23N5OS/c1-6-23(16-10-8-7-9-11-16)17(25)15(5)26-19-21-18-20-13(3)12(2)14(4)24(18)22-19/h7-11,15H,6H2,1-5H3/t15-/m0/s1
InChIKeyAFHRXTBAJGDNBA-HNNXBMFYSA-N
XLogP3.58
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide (CID 51952063) is (2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide is CCN(C(=O)[C@H](C)Sc1nc2nc(C)c(C)c(C)n2n1)c1ccccc1.
What is the InChIKey of (2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is AFHRXTBAJGDNBA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-6-23(16-10-8-7-9-11-16)17(25)15(5)26-19-21-18-20-13(3)12(2)14(4)24(18)22-19/h7-11,15H,6H2,1-5H3/t15-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?
(2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide has a molecular weight of 369.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-phenyl-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 51952063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).