N-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide

C21H24N4OS — CID 5125701

IUPACN-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESCc1ccc(Cc2nsc(N(C)CC(=O)Nc3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C21H24N4OS/c1-14-5-8-17(9-6-14)12-19-23-21(27-24-19)25(4)13-20(26)22-18-10-7-15(2)16(3)11-18/h5-11H,12-13H2,1-4H3,(H,22,26)
InChIKeyRAQFLVKWFORMDH-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.13
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide

N-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide (PubChem CID 5125701) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide
PubChem CID5125701
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide
SMILESCc1ccc(Cc2nsc(N(C)CC(=O)Nc3ccc(C)c(C)c3)n2)cc1
InChIInChI=1S/C21H24N4OS/c1-14-5-8-17(9-6-14)12-19-23-21(27-24-19)25(4)13-20(26)22-18-10-7-15(2)16(3)11-18/h5-11H,12-13H2,1-4H3,(H,22,26)
InChIKeyRAQFLVKWFORMDH-UHFFFAOYSA-N
XLogP4.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-3-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]-(2-methylpropyl)amino]propanamide
CID 42778337
2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 4670123
2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(2-methylpropyl)acetamide
CID 5240761
N-benzyl-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 3380941
N-(3,4-dimethylphenyl)-2-[4-[[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]acetamide
CID 3381077
3-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-propan-2-ylamino]-N-(4-methylphenyl)propanamide
CID 5034554
2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]acetic acid
CID 4204133
N-(3,4-dimethylphenyl)-2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]acetamide
CID 90605846
2-(3,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 2664751
N-(4-fluorophenyl)-3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide
CID 4012714
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
3-[2-methoxyethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(3-methoxypropyl)propanamide
CID 3998477

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide (CID 5125701) is N-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide is Cc1ccc(Cc2nsc(N(C)CC(=O)Nc3ccc(C)c(C)c3)n2)cc1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide?
The InChIKey is RAQFLVKWFORMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-14-5-8-17(9-6-14)12-19-23-21(27-24-19)25(4)13-20(26)22-18-10-7-15(2)16(3)11-18/h5-11H,12-13H2,1-4H3,(H,22,26).
What are the key properties of N-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide?
N-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide has a molecular weight of 380.52 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[methyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]acetamide is sourced from PubChem (CID 5125701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).