N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide

C14H16FN3O2S2 — CID 4788887

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCC(SCC(=O)Nc1ccc(F)cc1)C(=O)NC1=NCCS1
InChIInChI=1S/C14H16FN3O2S2/c1-9(13(20)18-14-16-6-7-21-14)22-8-12(19)17-11-4-2-10(15)3-5-11/h2-5,9H,6-8H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyNAFVCEXAGAXGNR-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.10
Rot. Bonds5

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide (PubChem CID 4788887) has the molecular formula C14H16FN3O2S2 and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
PubChem CID4788887
Molecular FormulaC14H16FN3O2S2
Molecular Weight341.43 g/mol
Exact Mass341.07
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCC(SCC(=O)Nc1ccc(F)cc1)C(=O)NC1=NCCS1
InChIInChI=1S/C14H16FN3O2S2/c1-9(13(20)18-14-16-6-7-21-14)22-8-12(19)17-11-4-2-10(15)3-5-11/h2-5,9H,6-8H2,1H3,(H,17,19)(H,16,18,20)
InChIKeyNAFVCEXAGAXGNR-UHFFFAOYSA-N
XLogP2.10
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55787973
(2S)-N-(4-bromophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 7730383
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(4-fluorophenyl)propanamide
CID 17403739
(2S)-N-(4-tert-butylphenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 8779811
N-(4-fluorophenyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylpropanamide
CID 4062248
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoylamino]acetic acid
CID 119171529
(2R)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
CID 9097710
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51219865
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 51153751
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 86847428
(2R)-2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoylamino]-4-methylpentanoic acid
CID 119364211
(2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)propanamide
CID 41037733

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide (CID 4788887) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide is CC(SCC(=O)Nc1ccc(F)cc1)C(=O)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
The InChIKey is NAFVCEXAGAXGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S2/c1-9(13(20)18-14-16-6-7-21-14)22-8-12(19)17-11-4-2-10(15)3-5-11/h2-5,9H,6-8H2,1H3,(H,17,19)(H,16,18,20).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide has a molecular weight of 341.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide is sourced from PubChem (CID 4788887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).