N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide

C13H16N4OS — CID 65206399

IUPACN-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1ccc(N)c(C)c1
InChIInChI=1S/C13H16N4OS/c1-3-4-11-12(19-17-16-11)13(18)15-9-5-6-10(14)8(2)7-9/h5-7H,3-4,14H2,1-2H3,(H,15,18)
InChIKeyOHGXEWRVAKTHAW-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.63
Rot. Bonds4

About N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide

N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 65206399) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
PubChem CID65206399
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1ccc(N)c(C)c1
InChIInChI=1S/C13H16N4OS/c1-3-4-11-12(19-17-16-11)13(18)15-9-5-6-10(14)8(2)7-9/h5-7H,3-4,14H2,1-2H3,(H,15,18)
InChIKeyOHGXEWRVAKTHAW-UHFFFAOYSA-N
XLogP2.63
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.63
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-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206061
N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872
N-(6-chloro-5-methyl-3-pyridinyl)-4-propylthiadiazole-5-carboxamide
CID 114049064
N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide
CID 65210587
N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 65206200
4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 65209990
N-(4-amino-3-bromophenyl)-4-methylthiadiazole-5-carboxamide
CID 82862458
N-(3-amino-4-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210172
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-propylthiadiazole-5-carboxamide
CID 122286575
N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
CID 136827232
N-(6-amino-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 65210585
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide
CID 46521837

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide (CID 65206399) is N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)Nc1ccc(N)c(C)c1.
What is the InChIKey of N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is OHGXEWRVAKTHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-3-4-11-12(19-17-16-11)13(18)15-9-5-6-10(14)8(2)7-9/h5-7H,3-4,14H2,1-2H3,(H,15,18).
What are the key properties of N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide?
N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65206399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).