N'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide

C15H18N4O2S — CID 50956987

IUPACN'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)N(C)Cc1snnc1C
InChIInChI=1S/C15H18N4O2S/c1-10-6-4-5-7-12(10)16-14(20)8-15(21)19(3)9-13-11(2)17-18-22-13/h4-7H,8-9H2,1-3H3,(H,16,20)
InChIKeyIYZDCULOGOESFC-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.14
Rot. Bonds5

About N'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide

N'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide (PubChem CID 50956987) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide.

Molecular Properties

Compound NameN'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide
PubChem CID50956987
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)N(C)Cc1snnc1C
InChIInChI=1S/C15H18N4O2S/c1-10-6-4-5-7-12(10)16-14(20)8-15(21)19(3)9-13-11(2)17-18-22-13/h4-7H,8-9H2,1-3H3,(H,16,20)
InChIKeyIYZDCULOGOESFC-UHFFFAOYSA-N
XLogP2.14
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
CID 108946105
N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]acetamide
CID 58773020
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide
CID 108946169
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 9038323
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
N'-benzyl-N'-methyl-N-quinolin-8-ylpropanediamide
CID 108946174

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide?
The IUPAC name of N'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide (CID 50956987) is N'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide.
What is the SMILES notation for N'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide?
The canonical SMILES for N'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide is Cc1ccccc1NC(=O)CC(=O)N(C)Cc1snnc1C.
What is the InChIKey of N'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide?
The InChIKey is IYZDCULOGOESFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-6-4-5-7-12(10)16-14(20)8-15(21)19(3)9-13-11(2)17-18-22-13/h4-7H,8-9H2,1-3H3,(H,16,20).
What are the key properties of N'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide?
N'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide has a molecular weight of 318.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylphenyl)-N'-[(4-methylthiadiazol-5-yl)methyl]propanediamide is sourced from PubChem (CID 50956987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).