2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide

C15H20N4OS — CID 91832676

IUPAC2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide
SMILESCc1nnsc1CN(C)CC(=O)NCCc1ccccc1
InChIInChI=1S/C15H20N4OS/c1-12-14(21-18-17-12)10-19(2)11-15(20)16-9-8-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,16,20)
InChIKeyWOXIODLYGNIYSK-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.64
Rot. Bonds7

About 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide

2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide (PubChem CID 91832676) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide
PubChem CID91832676
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide
SMILESCc1nnsc1CN(C)CC(=O)NCCc1ccccc1
InChIInChI=1S/C15H20N4OS/c1-12-14(21-18-17-12)10-19(2)11-15(20)16-9-8-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,16,20)
InChIKeyWOXIODLYGNIYSK-UHFFFAOYSA-N
XLogP1.64
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 22196628
2-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 91841217
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2-phenylethyl)acetamide
CID 9261639
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 9028707
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 27244251
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 8924126
2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 91843147
2-[methyl-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]amino]-N-(2-phenylethyl)acetamide
CID 155815083
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 18078825
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26510312

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide (CID 91832676) is 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide is Cc1nnsc1CN(C)CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is WOXIODLYGNIYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-12-14(21-18-17-12)10-19(2)11-15(20)16-9-8-13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3,(H,16,20).
What are the key properties of 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide?
2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 304.42 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 91832676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).