2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide

C21H20F2N4O2S — CID 56520163

IUPAC2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NCCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C21H20F2N4O2S/c22-15-3-4-16(17(23)12-15)21(29)26-11-7-19(28)25-8-1-2-20-27-18(13-30-20)14-5-9-24-10-6-14/h3-6,9-10,12-13H,1-2,7-8,11H2,(H,25,28)(H,26,29)
InChIKeyZGEJVYYXEXBKIZ-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.35
Rot. Bonds9

About 2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide

2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide (PubChem CID 56520163) has the molecular formula C21H20F2N4O2S and a molecular weight of 430.48 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide
PubChem CID56520163
Molecular FormulaC21H20F2N4O2S
Molecular Weight430.48 g/mol
Exact Mass430.13
IUPAC Name2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NCCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C21H20F2N4O2S/c22-15-3-4-16(17(23)12-15)21(29)26-11-7-19(28)25-8-1-2-20-27-18(13-30-20)14-5-9-24-10-6-14/h3-6,9-10,12-13H,1-2,7-8,11H2,(H,25,28)(H,26,29)
InChIKeyZGEJVYYXEXBKIZ-UHFFFAOYSA-N
XLogP3.35
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119875531
3-chloro-6-fluoro-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1-benzothiophene-2-carboxamide
CID 56519014
2,4-difluoro-N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]benzamide
CID 55494134
N-(2,4-difluorophenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110410192
2,4-difluoro-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 146126257
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 24657106
2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
CID 120704270
N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 25485702
2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide
CID 56519770
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 110317749
3-(2-aminophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120612941
2-(2-fluorophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
CID 56518615

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide (CID 56520163) is 2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide is O=C(CCNC(=O)c1ccc(F)cc1F)NCCCc1nc(-c2ccncc2)cs1.
What is the InChIKey of 2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide?
The InChIKey is ZGEJVYYXEXBKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2S/c22-15-3-4-16(17(23)12-15)21(29)26-11-7-19(28)25-8-1-2-20-27-18(13-30-20)14-5-9-24-10-6-14/h3-6,9-10,12-13H,1-2,7-8,11H2,(H,25,28)(H,26,29).
What are the key properties of 2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide?
2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide has a molecular weight of 430.48 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide is sourced from PubChem (CID 56520163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).