2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide

C21H17FN4OS2 — CID 56518615

IUPAC2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCc1nc(-c2ccncc2)cs1)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C21H17FN4OS2/c22-16-5-2-1-4-15(16)21-25-12-18(29-21)20(27)24-9-3-6-19-26-17(13-28-19)14-7-10-23-11-8-14/h1-2,4-5,7-8,10-13H,3,6,9H2,(H,24,27)
InChIKeyYWKIADGUCAORMI-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.83
Rot. Bonds7

About 2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide

2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 56518615) has the molecular formula C21H17FN4OS2 and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID56518615
Molecular FormulaC21H17FN4OS2
Molecular Weight424.53 g/mol
Exact Mass424.08
IUPAC Name2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCc1nc(-c2ccncc2)cs1)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C21H17FN4OS2/c22-16-5-2-1-4-15(16)21-25-12-18(29-21)20(27)24-9-3-6-19-26-17(13-28-19)14-7-10-23-11-8-14/h1-2,4-5,7-8,10-13H,3,6,9H2,(H,24,27)
InChIKeyYWKIADGUCAORMI-UHFFFAOYSA-N
XLogP4.83
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 56519901
3-bromo-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]thiophene-2-carboxamide
CID 56520287
2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide
CID 56520163
4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119875531
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 119875480
3-(2-aminophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120612941
3-chloro-6-fluoro-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1-benzothiophene-2-carboxamide
CID 56519014
2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide
CID 120596443
4-(benzimidazol-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide
CID 56518872
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119875479
2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
CID 120704270
3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119953650

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide (CID 56518615) is 2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide is O=C(NCCCc1nc(-c2ccncc2)cs1)c1cnc(-c2ccccc2F)s1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YWKIADGUCAORMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4OS2/c22-16-5-2-1-4-15(16)21-25-12-18(29-21)20(27)24-9-3-6-19-26-17(13-28-19)14-7-10-23-11-8-14/h1-2,4-5,7-8,10-13H,3,6,9H2,(H,24,27).
What are the key properties of 2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide?
2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56518615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).