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

C12H13FN4OS — CID 65206200

IUPACN-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C12H13FN4OS/c1-2-3-10-11(19-17-16-10)12(18)15-9-5-4-7(13)6-8(9)14/h4-6H,2-3,14H2,1H3,(H,15,18)
InChIKeyGTPKJLZIYSFZOW-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.46
Rot. Bonds4

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

N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 65206200) has the molecular formula C12H13FN4OS and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
PubChem CID65206200
Molecular FormulaC12H13FN4OS
Molecular Weight280.33 g/mol
Exact Mass280.08
IUPAC NameN-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C12H13FN4OS/c1-2-3-10-11(19-17-16-10)12(18)15-9-5-4-7(13)6-8(9)14/h4-6H,2-3,14H2,1H3,(H,15,18)
InChIKeyGTPKJLZIYSFZOW-UHFFFAOYSA-N
XLogP2.46
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.46
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-(2-amino-5-methoxyphenyl)-4-propylthiadiazole-5-carboxamide
CID 65210587
N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206399
N-(2-cyano-4-fluorophenyl)-4-ethylthiadiazole-5-carboxamide
CID 79953365
N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206061
N-(4-hydroxy-2,5-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
CID 136827232
N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210588
2-[(4-ethylthiadiazole-5-carbonyl)amino]-4,5-difluorobenzoic acid
CID 65205703
N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 107612541
N-[(3-amino-2-methylphenyl)methyl]-4-propylthiadiazole-5-carboxamide
CID 103110263
N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206339
N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872
5-[(4-ethylthiadiazole-5-carbonyl)amino]-2,4-difluorobenzoic acid
CID 60748340

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide (CID 65206200) is N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is GTPKJLZIYSFZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4OS/c1-2-3-10-11(19-17-16-10)12(18)15-9-5-4-7(13)6-8(9)14/h4-6H,2-3,14H2,1H3,(H,15,18).
What are the key properties of N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide?
N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 65206200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).