N-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide

C10H9FN4OS — CID 114244707

IUPACN-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1c(N)ccc(F)c1NC(=O)c1csnn1
InChIInChI=1S/C10H9FN4OS/c1-5-7(12)3-2-6(11)9(5)13-10(16)8-4-17-15-14-8/h2-4H,12H2,1H3,(H,13,16)
InChIKeyYLDFIZKQWFMJSD-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.82
Rot. Bonds2

About N-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide

N-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide (PubChem CID 114244707) has the molecular formula C10H9FN4OS and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide
PubChem CID114244707
Molecular FormulaC10H9FN4OS
Molecular Weight252.27 g/mol
Exact Mass252.05
IUPAC NameN-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide
SMILESCc1c(N)ccc(F)c1NC(=O)c1csnn1
InChIInChI=1S/C10H9FN4OS/c1-5-7(12)3-2-6(11)9(5)13-10(16)8-4-17-15-14-8/h2-4H,12H2,1H3,(H,13,16)
InChIKeyYLDFIZKQWFMJSD-UHFFFAOYSA-N
XLogP1.82
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide?
The IUPAC name of N-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide (CID 114244707) is N-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide is Cc1c(N)ccc(F)c1NC(=O)c1csnn1.
What is the InChIKey of N-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide?
The InChIKey is YLDFIZKQWFMJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4OS/c1-5-7(12)3-2-6(11)9(5)13-10(16)8-4-17-15-14-8/h2-4H,12H2,1H3,(H,13,16).
What are the key properties of N-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide?
N-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-6-fluoro-2-methylphenyl)thiadiazole-4-carboxamide is sourced from PubChem (CID 114244707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).