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

C12H15N5OS — CID 65208045

IUPAC2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide
SMILESCc1nnc(N(CC(N)=O)Cc2ccccc2N)s1
InChIInChI=1S/C12H15N5OS/c1-8-15-16-12(19-8)17(7-11(14)18)6-9-4-2-3-5-10(9)13/h2-5H,6-7,13H2,1H3,(H2,14,18)
InChIKeyZMGUBRYRBSTJFH-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.92
Rot. Bonds5

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

2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide (PubChem CID 65208045) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide
PubChem CID65208045
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide
SMILESCc1nnc(N(CC(N)=O)Cc2ccccc2N)s1
InChIInChI=1S/C12H15N5OS/c1-8-15-16-12(19-8)17(7-11(14)18)6-9-4-2-3-5-10(9)13/h2-5H,6-7,13H2,1H3,(H2,14,18)
InChIKeyZMGUBRYRBSTJFH-UHFFFAOYSA-N
XLogP0.92
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(2-aminophenyl)methyl]-N-ethyl-5-methyl-1,3,4-thiadiazol-2-amine
CID 65208770
N-[(2-aminophenyl)methyl]-5-methyl-N-propyl-1,3,4-thiadiazol-2-amine
CID 65208881
N-[(2-aminophenyl)methyl]-5-methyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 65208717
2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
CID 63149898
N-(2-amino-2-oxoethyl)-N-[(2-aminophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 43461291
2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
CID 43461279
2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide
CID 61253793
2-[(2-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79713139
2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide
CID 61311799
2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide
CID 62700876
2-[(2-aminophenyl)methylsulfonyl-methylamino]acetamide
CID 62020888
2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 43461380

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide (CID 65208045) is 2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide is Cc1nnc(N(CC(N)=O)Cc2ccccc2N)s1.
What is the InChIKey of 2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide?
The InChIKey is ZMGUBRYRBSTJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-8-15-16-12(19-8)17(7-11(14)18)6-9-4-2-3-5-10(9)13/h2-5H,6-7,13H2,1H3,(H2,14,18).
What are the key properties of 2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide?
2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide has a molecular weight of 277.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide is sourced from PubChem (CID 65208045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).