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

C13H14FN5OS — CID 169248676

IUPAC4-fluoro-N-[5-(1-methylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
SMILESCN1CCC(c2nnc(NC(=O)c3cc(F)ccn3)s2)C1
InChIInChI=1S/C13H14FN5OS/c1-19-5-3-8(7-19)12-17-18-13(21-12)16-11(20)10-6-9(14)2-4-15-10/h2,4,6,8H,3,5,7H2,1H3,(H,16,18,20)
InChIKeyGDKCDZNRAUNRCT-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.74
Rot. Bonds3

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

4-fluoro-N-[5-(1-methylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide (PubChem CID 169248676) has the molecular formula C13H14FN5OS and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-fluoro-N-[5-(1-methylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(1-methylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
PubChem CID169248676
Molecular FormulaC13H14FN5OS
Molecular Weight307.35 g/mol
Exact Mass307.09
IUPAC Name4-fluoro-N-[5-(1-methylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
SMILESCN1CCC(c2nnc(NC(=O)c3cc(F)ccn3)s2)C1
InChIInChI=1S/C13H14FN5OS/c1-19-5-3-8(7-19)12-17-18-13(21-12)16-11(20)10-6-9(14)2-4-15-10/h2,4,6,8H,3,5,7H2,1H3,(H,16,18,20)
InChIKeyGDKCDZNRAUNRCT-UHFFFAOYSA-N
XLogP1.74
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 659441
N-methyl-N-[5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 651392
N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 654941
N2,N6-bis(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide
CID 659567
Pyridine-2-carboxylic acid methyl-(5-methyl-[1,3,4]thiadiazol-2-yl)-amide
CID 1447072
N-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)picolinamide
CID 2114403
N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide
CID 2114858
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 2121806
4-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 7802676
N-(5-propyl-1,3,4-thiadiazol-2-yl)isonicotinamide
CID 920424
N-[5-(1-Methylethyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamide
CID 1451542
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 2086878

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(1-methylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 4-fluoro-N-[5-(1-methylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide (CID 169248676) is 4-fluoro-N-[5-(1-methylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[5-(1-methylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[5-(1-methylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide is CN1CCC(c2nnc(NC(=O)c3cc(F)ccn3)s2)C1.
What is the InChIKey of 4-fluoro-N-[5-(1-methylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is GDKCDZNRAUNRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5OS/c1-19-5-3-8(7-19)12-17-18-13(21-12)16-11(20)10-6-9(14)2-4-15-10/h2,4,6,8H,3,5,7H2,1H3,(H,16,18,20).
What are the key properties of 4-fluoro-N-[5-(1-methylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide?
4-fluoro-N-[5-(1-methylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(1-methylpyrrolidin-3-yl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169248676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).