5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C24H27N5OS — CID 135419095

IUPAC5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(C(C)C)n2nc(SCc3ccccc3C)nc2N1
InChIInChI=1S/C24H27N5OS/c1-15(2)21-20(22(30)26-19-12-6-5-7-13-19)17(4)25-23-27-24(28-29(21)23)31-14-18-11-9-8-10-16(18)3/h5-13,15,21H,14H2,1-4H3,(H,26,30)(H,25,27,28)
InChIKeyGFWOKRCOVKZGSE-UHFFFAOYSA-N
MW433.58 g/mol
LogP5.41
Rot. Bonds6

About 5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135419095) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is 5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135419095
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC Name5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(C(C)C)n2nc(SCc3ccccc3C)nc2N1
InChIInChI=1S/C24H27N5OS/c1-15(2)21-20(22(30)26-19-12-6-5-7-13-19)17(4)25-23-27-24(28-29(21)23)31-14-18-11-9-8-10-16(18)3/h5-13,15,21H,14H2,1-4H3,(H,26,30)(H,25,27,28)
InChIKeyGFWOKRCOVKZGSE-UHFFFAOYSA-N
XLogP5.41
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-(4-Chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-7-(2-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135416480
N-(3,4-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide
CID 3344345
2-(Benzylsulfanyl)-5-methyl-N-(2-methylphenyl)-7-(thiophen-2-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 4081869
2-(Benzylsulfanyl)-7-[4-(diethylamino)phenyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 5123164
N-(2,3-dimethylphenyl)-2-[(7-oxo-5-phenyl-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]acetamide
CID 135436978
N-(4-Ethylphenyl)-2-({7-oxo-5-phenyl-7H,8H-[1,2,4]triazolo[4,3-A]pyrimidin-3-YL}sulfanyl)acetamide
CID 135436980
N-methyl-2-((7-oxo-5-phenyl-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)-N-phenylacetamide
CID 135436988
2-{[(2-Chlorophenyl)methyl]sulfanyl}-N-(2,4-dimethylphenyl)-5-methyl-7-(propan-2-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135416478
N-(4-Chlorophenyl)-2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-7-(propan-2-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135416479
2-(Benzylsulfanyl)-5-methyl-7-[4-(propan-2-YL)phenyl]-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 3440597
2-(benzylsulfanyl)-5-methyl-N-phenyl-7-(thiophen-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3473863
2-{[(2-Fluorophenyl)methyl]sulfanyl}-5-methyl-N-phenyl-7-(thiophen-2-YL)-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 4286321

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135419095) is 5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(C(C)C)n2nc(SCc3ccccc3C)nc2N1.
What is the InChIKey of 5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is GFWOKRCOVKZGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c1-15(2)21-20(22(30)26-19-12-6-5-7-13-19)17(4)25-23-27-24(28-29(21)23)31-14-18-11-9-8-10-16(18)3/h5-13,15,21H,14H2,1-4H3,(H,26,30)(H,25,27,28).
What are the key properties of 5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-methylphenyl)methylsulfanyl]-N-phenyl-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135419095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).