N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide

C12H12N4OS — CID 79741093

IUPACN-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1csnn1
InChIInChI=1S/C12H12N4OS/c13-8-2-3-9-7(5-8)1-4-10(9)14-12(17)11-6-18-16-15-11/h2-3,5-6,10H,1,4,13H2,(H,14,17)
InChIKeyNAECXKUIEMYOJN-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.54
Rot. Bonds2

About N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide

N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide (PubChem CID 79741093) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
PubChem CID79741093
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC NameN-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide
SMILESNc1ccc2c(c1)CCC2NC(=O)c1csnn1
InChIInChI=1S/C12H12N4OS/c13-8-2-3-9-7(5-8)1-4-10(9)14-12(17)11-6-18-16-15-11/h2-3,5-6,10H,1,4,13H2,(H,14,17)
InChIKeyNAECXKUIEMYOJN-UHFFFAOYSA-N
XLogP1.54
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,2-oxazole-3-carboxamide
CID 79741645
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 79741279
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-hydroxybenzamide
CID 79741651
N-(5-amino-2,3-dihydro-1H-inden-1-yl)furan-2-carboxamide
CID 79741002
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-bromobenzamide
CID 79740821
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-2-fluorobenzamide
CID 81266310
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79740729
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-bromo-2-methylbenzamide
CID 79722653
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 79723212
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-chlorofuran-3-carboxamide
CID 106688572
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103403825
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide
CID 79741558

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide?
The IUPAC name of N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide (CID 79741093) is N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide is Nc1ccc2c(c1)CCC2NC(=O)c1csnn1.
What is the InChIKey of N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide?
The InChIKey is NAECXKUIEMYOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c13-8-2-3-9-7(5-8)1-4-10(9)14-12(17)11-6-18-16-15-11/h2-3,5-6,10H,1,4,13H2,(H,14,17).
What are the key properties of N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide?
N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,3-dihydro-1H-inden-1-yl)thiadiazole-4-carboxamide is sourced from PubChem (CID 79741093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).