N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide

C15H20N4OS — CID 118789621

IUPACN-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(c1ncnn1C)C(C)C
InChIInChI=1S/C15H20N4OS/c1-10(2)13(14-16-9-17-19(14)3)18-15(20)11-7-5-6-8-12(11)21-4/h5-10,13H,1-4H3,(H,18,20)
InChIKeyNQZOSEZLBQUFJQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.66
Rot. Bonds5

About N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide

N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide (PubChem CID 118789621) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide
PubChem CID118789621
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NC(c1ncnn1C)C(C)C
InChIInChI=1S/C15H20N4OS/c1-10(2)13(14-16-9-17-19(14)3)18-15(20)11-7-5-6-8-12(11)21-4/h5-10,13H,1-4H3,(H,18,20)
InChIKeyNQZOSEZLBQUFJQ-UHFFFAOYSA-N
XLogP2.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 124842063
N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
CID 125157786
1-methyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157750
1-methyl-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]imidazole-4-carboxamide
CID 125157749
3-(3-acetylphenyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 126440387
5-fluoro-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]pyridine-3-carboxamide
CID 125442540
2-ethylsulfanyl-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 125172462
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylsulfanylbenzamide
CID 91794119
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-methylsulfanylbenzamide
CID 79252526
5-(difluoromethyl)-N-[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-1H-pyrazole-3-carboxamide
CID 125174156
3-[(3-fluorophenyl)methoxy]-N-[(1R)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]benzamide
CID 125178271
N-[(2R)-1-aminopropan-2-yl]-2-methylsulfanylbenzamide
CID 104873008

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide (CID 118789621) is N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NC(c1ncnn1C)C(C)C.
What is the InChIKey of N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide?
The InChIKey is NQZOSEZLBQUFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10(2)13(14-16-9-17-19(14)3)18-15(20)11-7-5-6-8-12(11)21-4/h5-10,13H,1-4H3,(H,18,20).
What are the key properties of N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide?
N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide has a molecular weight of 304.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 118789621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).