N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide

C13H16N4OS — CID 65206447

IUPACN-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(C)c1ccccc1N
InChIInChI=1S/C13H16N4OS/c1-3-6-10-12(19-16-15-10)13(18)17(2)11-8-5-4-7-9(11)14/h4-5,7-8H,3,6,14H2,1-2H3
InChIKeyTZOPYOLVMHXHDK-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.35
Rot. Bonds4

About N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide

N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide (PubChem CID 65206447) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide
PubChem CID65206447
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)N(C)c1ccccc1N
InChIInChI=1S/C13H16N4OS/c1-3-6-10-12(19-16-15-10)13(18)17(2)11-8-5-4-7-9(11)14/h4-5,7-8H,3,6,14H2,1-2H3
InChIKeyTZOPYOLVMHXHDK-UHFFFAOYSA-N
XLogP2.35
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate
CID 60724264
2-[methyl-(4-propylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65206041
N-(2-amino-2-sulfanylideneethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65204972
N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 103110263
N-(2-hydroxyethyl)-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65210107
N-(2-aminophenyl)-N-ethyl-4-propan-2-ylthiadiazole-5-carboxamide
CID 65206613
(2-methylphenyl)-(4-propylthiadiazol-5-yl)methanone
CID 105080193
(2-chlorophenyl)-(4-propylthiadiazol-5-yl)methanone
CID 105081421
N-[(3-bromophenyl)methyl]-N-methyl-4-propylthiadiazole-5-carboxamide
CID 65205282
N-methyl-4-propyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]thiadiazole-5-carboxamide
CID 91790625
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-N-methyl-4-propylthiadiazole-5-carboxamide
CID 100752197
N-(2-aminophenyl)-3-methoxy-N-methylthiophene-2-carboxamide
CID 81117473

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide (CID 65206447) is N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)N(C)c1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide?
The InChIKey is TZOPYOLVMHXHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-6-10-12(19-16-15-10)13(18)17(2)11-8-5-4-7-9(11)14/h4-5,7-8H,3,6,14H2,1-2H3.
What are the key properties of N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide?
N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-methyl-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65206447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).