2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide

C12H12F2N4OS — CID 102709910

IUPAC2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2ccnc(F)c2F)s1
InChIInChI=1S/C12H12F2N4OS/c1-6(2)5-8-17-18-12(20-8)16-11(19)7-3-4-15-10(14)9(7)13/h3-4,6H,5H2,1-2H3,(H,16,18,19)
InChIKeyHZIOEUNGQBZBHH-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.66
Rot. Bonds4

About 2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide

2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (PubChem CID 102709910) has the molecular formula C12H12F2N4OS and a molecular weight of 298.32 g/mol. Its IUPAC name is 2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
PubChem CID102709910
Molecular FormulaC12H12F2N4OS
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2ccnc(F)c2F)s1
InChIInChI=1S/C12H12F2N4OS/c1-6(2)5-8-17-18-12(20-8)16-11(19)7-3-4-15-10(14)9(7)13/h3-4,6H,5H2,1-2H3,(H,16,18,19)
InChIKeyHZIOEUNGQBZBHH-UHFFFAOYSA-N
XLogP2.66
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103829678
3-hydroxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 103871250
2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749
2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 24647679
5-fluoro-2-(methylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 106262222
4-chloro-6-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 103803457
2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfanylbenzamide
CID 51148567
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-imidazole-2-carboxamide
CID 110466560
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-methylsulfonylbenzamide
CID 30732694
2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 26068299
5-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,3-oxazole-4-carboxamide
CID 138993399
2-(cyclopentylamino)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 56792744

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide (CID 102709910) is 2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is CC(C)Cc1nnc(NC(=O)c2ccnc(F)c2F)s1.
What is the InChIKey of 2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is HZIOEUNGQBZBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4OS/c1-6(2)5-8-17-18-12(20-8)16-11(19)7-3-4-15-10(14)9(7)13/h3-4,6H,5H2,1-2H3,(H,16,18,19).
What are the key properties of 2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide?
2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide has a molecular weight of 298.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 102709910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).