N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide

C13H13F2N3O2S — CID 46559091

IUPACN-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NC1=NCCS1
InChIInChI=1S/C13H13F2N3O2S/c14-8-1-2-9(10(15)7-8)12(20)16-4-3-11(19)18-13-17-5-6-21-13/h1-2,7H,3-6H2,(H,16,20)(H,17,18,19)
InChIKeyZXNDDTAUYZUNBG-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.30
Rot. Bonds4

About N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide

N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide (PubChem CID 46559091) has the molecular formula C13H13F2N3O2S and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
PubChem CID46559091
Molecular FormulaC13H13F2N3O2S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC NameN-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
SMILESO=C(CCNC(=O)c1ccc(F)cc1F)NC1=NCCS1
InChIInChI=1S/C13H13F2N3O2S/c14-8-1-2-9(10(15)7-8)12(20)16-4-3-11(19)18-13-17-5-6-21-13/h1-2,7H,3-6H2,(H,16,20)(H,17,18,19)
InChIKeyZXNDDTAUYZUNBG-UHFFFAOYSA-N
XLogP1.30
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-4-fluorobenzamide
CID 47365639
2,4-difluoro-N-[3-oxo-3-(2,2,2-trifluoroethylamino)propyl]benzamide
CID 78802712
2,4-difluoro-N-[3-(2-hydroxyanilino)-3-oxopropyl]benzamide
CID 51314532
methyl 3-[3-[(2,4-difluorobenzoyl)amino]propanoylamino]thiophene-2-carboxylate
CID 30670553
N-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]-2,4-difluorobenzamide
CID 30489420
2,4-difluoro-N-[4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butyl]benzamide
CID 29370798
2,4-difluoro-N-[3-[[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 55818493
N-[3-[[6-(diethylamino)-3-pyridinyl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 55784346
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
N-[3-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 18229970
2,4-difluoro-N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]benzamide
CID 43039090
N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 25485702

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide (CID 46559091) is N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide is O=C(CCNC(=O)c1ccc(F)cc1F)NC1=NCCS1.
What is the InChIKey of N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide?
The InChIKey is ZXNDDTAUYZUNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2S/c14-8-1-2-9(10(15)7-8)12(20)16-4-3-11(19)18-13-17-5-6-21-13/h1-2,7H,3-6H2,(H,16,20)(H,17,18,19).
What are the key properties of N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide?
N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide has a molecular weight of 313.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxopropyl]-2,4-difluorobenzamide is sourced from PubChem (CID 46559091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).