N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide

C11H12N4OS — CID 65214697

IUPACN-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide
SMILESCC(NC(=O)c1csnn1)c1cccc(N)c1
InChIInChI=1S/C11H12N4OS/c1-7(8-3-2-4-9(12)5-8)13-11(16)10-6-17-15-14-10/h2-7H,12H2,1H3,(H,13,16)
InChIKeyLSRCTURKXFMIAU-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.61
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide

N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide (PubChem CID 65214697) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide
PubChem CID65214697
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC NameN-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide
SMILESCC(NC(=O)c1csnn1)c1cccc(N)c1
InChIInChI=1S/C11H12N4OS/c1-7(8-3-2-4-9(12)5-8)13-11(16)10-6-17-15-14-10/h2-7H,12H2,1H3,(H,13,16)
InChIKeyLSRCTURKXFMIAU-UHFFFAOYSA-N
XLogP1.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-aminophenyl)ethyl]benzamide
CID 43297605
4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride
CID 65214562
N-[1-(3-aminophenyl)ethyl]-4-propan-2-ylbenzamide
CID 43297646
N-[1-(3-aminophenyl)ethyl]-3-bromobenzamide
CID 43297641
N-[1-(3-aminophenyl)ethyl]-3,4,4-trimethylpentanamide
CID 63832849
N-[1-(3-aminophenyl)ethyl]-2-iodobenzamide
CID 43297726
N-[1-(3-aminophenyl)ethyl]-2,5-dibromothiophene-3-carboxamide
CID 107959305
N-[1-[4-(3-hydroxyprop-1-ynyl)phenyl]ethyl]thiadiazole-4-carboxamide
CID 65216183
(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 103804690
N-[1-(3-aminophenyl)ethyl]-2-methylsulfanylbenzamide
CID 78984463
N-[1-(3-aminophenyl)ethyl]-5-methylfuran-3-carboxamide
CID 114818581
N-[1-(3-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
CID 79985275

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide (CID 65214697) is N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide is CC(NC(=O)c1csnn1)c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide?
The InChIKey is LSRCTURKXFMIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7(8-3-2-4-9(12)5-8)13-11(16)10-6-17-15-14-10/h2-7H,12H2,1H3,(H,13,16).
What are the key properties of N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide?
N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide has a molecular weight of 248.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 65214697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).