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

C16H13FN4OS — CID 168866608

IUPAC2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nnc(CCc2ccccc2)s1)c1cccnc1F
InChIInChI=1S/C16H13FN4OS/c17-14-12(7-4-10-18-14)15(22)19-16-21-20-13(23-16)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,19,21,22)
InChIKeyYTIYIEPMWNAPGY-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.11
Rot. Bonds5

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

2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (PubChem CID 168866608) has the molecular formula C16H13FN4OS and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
PubChem CID168866608
Molecular FormulaC16H13FN4OS
Molecular Weight328.37 g/mol
Exact Mass328.08
IUPAC Name2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nnc(CCc2ccccc2)s1)c1cccnc1F
InChIInChI=1S/C16H13FN4OS/c17-14-12(7-4-10-18-14)15(22)19-16-21-20-13(23-16)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,19,21,22)
InChIKeyYTIYIEPMWNAPGY-UHFFFAOYSA-N
XLogP3.11
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.11
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

N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 4173511
2-methyl-N-[(2E)-5-{2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl}-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
CID 6866332
N-[5-(3-Pyridinyl)-1,3,4-thiadiazol-2-YL]-2-thiophenecarboxamide
CID 1080952
6-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 2085604
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylpyridine-3-carboxamide
CID 2558670
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 746692
N-(5-ethyl-1,3,4-thiadiazol-2-yl)nicotinamide
CID 1387083
N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyridine-4-carboxamide
CID 659441
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamide
CID 1245352
1-[[4-[5-[Butyl(pyridine-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]azetidine-3-carboxylic acid
CID 45377940
2-phenyl-N-[5-[4-[5-[(2-pyridin-3-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982574
2-phenyl-N-[5-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982575

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide (CID 168866608) is 2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nnc(CCc2ccccc2)s1)c1cccnc1F.
What is the InChIKey of 2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is YTIYIEPMWNAPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4OS/c17-14-12(7-4-10-18-14)15(22)19-16-21-20-13(23-16)9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H,19,21,22).
What are the key properties of 2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide?
2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 168866608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).