N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide

C13H16N4O2S — CID 65210587

IUPACN-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1cc(OC)ccc1N
InChIInChI=1S/C13H16N4O2S/c1-3-4-10-12(20-17-16-10)13(18)15-11-7-8(19-2)5-6-9(11)14/h5-7H,3-4,14H2,1-2H3,(H,15,18)
InChIKeyYGPGBYNSUNOYQY-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.33
Rot. Bonds5

About N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide

N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 65210587) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide
PubChem CID65210587
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1cc(OC)ccc1N
InChIInChI=1S/C13H16N4O2S/c1-3-4-10-12(20-17-16-10)13(18)15-11-7-8(19-2)5-6-9(11)14/h5-7H,3-4,14H2,1-2H3,(H,15,18)
InChIKeyYGPGBYNSUNOYQY-UHFFFAOYSA-N
XLogP2.33
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210588
N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204688
N-(2-amino-5-methoxyphenyl)-4-methyl-2-propyl-1,3-thiazole-5-carboxamide
CID 119421156
N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206399
N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206061
N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206339
N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
CID 136827232
N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103805177
N-(3-amino-4-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210172
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-propylthiadiazole-5-carboxamide
CID 122286996
N-(2-amino-5-methoxyphenyl)-4-butoxy-3-methoxybenzamide;hydrochloride
CID 119421240
N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 63258266

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide (CID 65210587) is N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)Nc1cc(OC)ccc1N.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is YGPGBYNSUNOYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-4-10-12(20-17-16-10)13(18)15-11-7-8(19-2)5-6-9(11)14/h5-7H,3-4,14H2,1-2H3,(H,15,18).
What are the key properties of N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide?
N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65210587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).