2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide

C9H8FN5OS — CID 114035114

IUPAC2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESCc1nsc(NC(=O)c2cc(F)cnc2N)n1
InChIInChI=1S/C9H8FN5OS/c1-4-13-9(17-15-4)14-8(16)6-2-5(10)3-12-7(6)11/h2-3H,1H3,(H2,11,12)(H,13,14,15,16)
InChIKeyMJAYULYATUPABT-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.22
Rot. Bonds2

About 2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide

2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide (PubChem CID 114035114) has the molecular formula C9H8FN5OS and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
PubChem CID114035114
Molecular FormulaC9H8FN5OS
Molecular Weight253.26 g/mol
Exact Mass253.04
IUPAC Name2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESCc1nsc(NC(=O)c2cc(F)cnc2N)n1
InChIInChI=1S/C9H8FN5OS/c1-4-13-9(17-15-4)14-8(16)6-2-5(10)3-12-7(6)11/h2-3H,1H3,(H2,11,12)(H,13,14,15,16)
InChIKeyMJAYULYATUPABT-UHFFFAOYSA-N
XLogP1.22
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 115745910
2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 115661242
4-bromo-2,6-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzamide
CID 113253817
2,5-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 104705209
2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 103755613
6-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 103718323
N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide
CID 114034926
2-(ethylamino)-3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-4-carboxamide
CID 105387592
2-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 115661246
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 106049941
2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
CID 106854400
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide
CID 106280114

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide (CID 114035114) is 2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide is Cc1nsc(NC(=O)c2cc(F)cnc2N)n1.
What is the InChIKey of 2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The InChIKey is MJAYULYATUPABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5OS/c1-4-13-9(17-15-4)14-8(16)6-2-5(10)3-12-7(6)11/h2-3H,1H3,(H2,11,12)(H,13,14,15,16).
What are the key properties of 2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide?
2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 114035114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).