N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

C19H16ClFN2OS2 — CID 18227855

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CSc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16ClFN2OS2/c1-23(10-14-15(20)8-5-9-16(14)21)18(24)12-26-19-22-17(11-25-19)13-6-3-2-4-7-13/h2-9,11H,10,12H2,1H3
InChIKeyCUPJOBZIVXELEP-UHFFFAOYSA-N
MW406.94 g/mol
LogP5.35
Rot. Bonds6

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (PubChem CID 18227855) has the molecular formula C19H16ClFN2OS2 and a molecular weight of 406.94 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
PubChem CID18227855
Molecular FormulaC19H16ClFN2OS2
Molecular Weight406.94 g/mol
Exact Mass406.04
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)CSc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H16ClFN2OS2/c1-23(10-14-15(20)8-5-9-16(14)21)18(24)12-26-19-22-17(11-25-19)13-6-3-2-4-7-13/h2-9,11H,10,12H2,1H3
InChIKeyCUPJOBZIVXELEP-UHFFFAOYSA-N
XLogP5.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.94
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide with MolForge

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 17414568
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 18202322
N,N-diethyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 3401404
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 33234150
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-(4-phenylphenyl)acetamide
CID 2450064
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 37286364
N-benzyl-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-N-methylacetamide
CID 961833
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 112776875
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
phenyl N-[(2-chloro-6-fluorophenyl)methyl]-N-methylcarbamate
CID 60628603
N,N-dimethyl-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 4001168

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide (CID 18227855) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is CN(Cc1c(F)cccc1Cl)C(=O)CSc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
The InChIKey is CUPJOBZIVXELEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2OS2/c1-23(10-14-15(20)8-5-9-16(14)21)18(24)12-26-19-22-17(11-25-19)13-6-3-2-4-7-13/h2-9,11H,10,12H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide has a molecular weight of 406.94 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 18227855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).