N-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide

C11H12N4OS — CID 65199981

IUPACN-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C11H12N4OS/c1-7-10(17-14-13-7)11(16)15(2)9-5-3-8(12)4-6-9/h3-6H,12H2,1-2H3
InChIKeyIIWAZZONSBIXPD-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.71
Rot. Bonds2

About N-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide

N-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide (PubChem CID 65199981) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide
PubChem CID65199981
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C11H12N4OS/c1-7-10(17-14-13-7)11(16)15(2)9-5-3-8(12)4-6-9/h3-6H,12H2,1-2H3
InChIKeyIIWAZZONSBIXPD-UHFFFAOYSA-N
XLogP1.71
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide (CID 65199981) is N-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide?
The InChIKey is IIWAZZONSBIXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-10(17-14-13-7)11(16)15(2)9-5-3-8(12)4-6-9/h3-6H,12H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide?
N-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide is sourced from PubChem (CID 65199981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).