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

C15H20N4OS — CID 65206351

IUPACN-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(CCC)c1ccc(N)cc1
InChIInChI=1S/C15H20N4OS/c1-3-5-13-14(21-18-17-13)15(20)19(10-4-2)12-8-6-11(16)7-9-12/h6-9H,3-5,10,16H2,1-2H3
InChIKeyJZNCKPLDTBZFQF-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.13
Rot. Bonds6

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

N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide (PubChem CID 65206351) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide
PubChem CID65206351
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(CCC)c1ccc(N)cc1
InChIInChI=1S/C15H20N4OS/c1-3-5-13-14(21-18-17-13)15(20)19(10-4-2)12-8-6-11(16)7-9-12/h6-9H,3-5,10,16H2,1-2H3
InChIKeyJZNCKPLDTBZFQF-UHFFFAOYSA-N
XLogP3.13
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.13
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'}

Analyze N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-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

1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
N-(4-aminophenyl)-N-propylpyridazine-4-carboxamide
CID 104669257
N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65206447
N-(3-amino-3-sulfanylidenepropyl)-4-ethyl-N-phenylthiadiazole-5-carboxamide
CID 65205471
N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65210107
N-(4-aminophenyl)-N-propylthiophene-2-carboxamide
CID 63233977
N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65204972
N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
CID 63233675
N-(4-aminophenyl)-3,3,3-trifluoro-N-propylpropanamide
CID 63234191
N-(4-aminophenyl)-3-hydroxy-N-propylpyridine-4-carboxamide
CID 81446026
2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65206041
N-(4-aminophenyl)-N,4-dimethylthiadiazole-5-carboxamide
CID 65199981

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide (CID 65206351) is N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)N(CCC)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide?
The InChIKey is JZNCKPLDTBZFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-3-5-13-14(21-18-17-13)15(20)19(10-4-2)12-8-6-11(16)7-9-12/h6-9H,3-5,10,16H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide?
N-(4-aminophenyl)-N,4-dipropylthiadiazole-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 3.13, 6 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-dipropylthiadiazole-5-carboxamide is sourced from PubChem (CID 65206351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).