(2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide

C19H23N5OS — CID 51952068

IUPAC(2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
SMILESCc1ccc(CNC(=O)[C@@H](C)Sc2nc3nc(C)c(C)c(C)n3n2)cc1
InChIInChI=1S/C19H23N5OS/c1-11-6-8-16(9-7-11)10-20-17(25)15(5)26-19-22-18-21-13(3)12(2)14(4)24(18)23-19/h6-9,15H,10H2,1-5H3,(H,20,25)/t15-/m1/s1
InChIKeyCSLBCTIXDUSUJK-OAHLLOKOSA-N
MW369.49 g/mol
LogP3.15
Rot. Bonds5

About (2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide

(2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide (PubChem CID 51952068) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is (2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
PubChem CID51952068
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name(2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide
SMILESCc1ccc(CNC(=O)[C@@H](C)Sc2nc3nc(C)c(C)c(C)n3n2)cc1
InChIInChI=1S/C19H23N5OS/c1-11-6-8-16(9-7-11)10-20-17(25)15(5)26-19-22-18-21-13(3)12(2)14(4)24(18)23-19/h6-9,15H,10H2,1-5H3,(H,20,25)/t15-/m1/s1
InChIKeyCSLBCTIXDUSUJK-OAHLLOKOSA-N
XLogP3.15
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide (CID 51952068) is (2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide is Cc1ccc(CNC(=O)[C@@H](C)Sc2nc3nc(C)c(C)c(C)n3n2)cc1.
What is the InChIKey of (2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?
The InChIKey is CSLBCTIXDUSUJK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-11-6-8-16(9-7-11)10-20-17(25)15(5)26-19-22-18-21-13(3)12(2)14(4)24(18)23-19/h6-9,15H,10H2,1-5H3,(H,20,25)/t15-/m1/s1.
What are the key properties of (2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide?
(2R)-N-[(4-methylphenyl)methyl]-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 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-methylphenyl)methyl]-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 51952068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).