[2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium

C19H17F3N3OS+ — CID 8011216

IUPAC[2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)Cc1ccc(F)cc1
InChIInChI=1S/C19H16F3N3OS/c1-25(9-12-2-5-14(20)6-3-12)10-18(26)24-19-23-17(11-27-19)13-4-7-15(21)16(22)8-13/h2-8,11H,9-10H2,1H3,(H,23,24,26)/p+1
InChIKeyZEKCPTRXZXHHQV-UHFFFAOYSA-O
MW392.43 g/mol
LogP2.88
Rot. Bonds6

About [2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium

[2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium (PubChem CID 8011216) has the molecular formula C19H17F3N3OS+ and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
PubChem CID8011216
Molecular FormulaC19H17F3N3OS+
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name[2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)Cc1ccc(F)cc1
InChIInChI=1S/C19H16F3N3OS/c1-25(9-12-2-5-14(20)6-3-12)10-18(26)24-19-23-17(11-27-19)13-4-7-15(21)16(22)8-13/h2-8,11H,9-10H2,1H3,(H,23,24,26)/p+1
InChIKeyZEKCPTRXZXHHQV-UHFFFAOYSA-O
XLogP2.88
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium with MolForge

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Related Compounds

3-(3,4-difluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 46686289
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 8801298
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 18268670
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2109084
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55357811
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[(3R,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 9430691
N-[3-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,4-difluorobenzamide
CID 25485702
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 16910410
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]acetamide
CID 30736458
2-chloro-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1133114
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)propanamide
CID 2091152

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium?
The IUPAC name of [2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium (CID 8011216) is [2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium.
What is the SMILES notation for [2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium?
The canonical SMILES for [2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium is C[NH+](CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)Cc1ccc(F)cc1.
What is the InChIKey of [2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium?
The InChIKey is ZEKCPTRXZXHHQV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H16F3N3OS/c1-25(9-12-2-5-14(20)6-3-12)10-18(26)24-19-23-17(11-27-19)13-4-7-15(21)16(22)8-13/h2-8,11H,9-10H2,1H3,(H,23,24,26)/p+1.
What are the key properties of [2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium?
[2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium has a molecular weight of 392.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-[(4-fluorophenyl)methyl]-methylazanium is sourced from PubChem (CID 8011216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).