N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

C12H10ClF3N2OS2 — CID 2344699

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H10ClF3N2OS2/c13-7-1-2-9(8(5-7)12(14,15)16)18-10(19)6-21-11-17-3-4-20-11/h1-2,5H,3-4,6H2,(H,18,19)
InChIKeyCODJPBZWBSNDOH-UHFFFAOYSA-N
MW354.81 g/mol
LogP4.13
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (PubChem CID 2344699) has the molecular formula C12H10ClF3N2OS2 and a molecular weight of 354.81 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
PubChem CID2344699
Molecular FormulaC12H10ClF3N2OS2
Molecular Weight354.81 g/mol
Exact Mass353.99
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C12H10ClF3N2OS2/c13-7-1-2-9(8(5-7)12(14,15)16)18-10(19)6-21-11-17-3-4-20-11/h1-2,5H,3-4,6H2,(H,18,19)
InChIKeyCODJPBZWBSNDOH-UHFFFAOYSA-N
XLogP4.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 6461606
Acetanilide, 4'-chloro-2,2,2-trifluoro-2'-(trifluoromethyl)-
CID 2990542
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 24686841
N-(4-chloro-2-methylphenyl)-2-{[4-hydroxy-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
CID 135412533
2-({2-[4-Chloro-2-(trifluoromethyl)anilino]-2-oxoethyl}sulfanyl)acetic acid
CID 1476065
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] N,N-dimethylcarbamodithioate
CID 2379748
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3596505
N-(4-chloro-2-methylphenyl)-2,2,2-trifluoroacetamide
CID 4159159
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 698457
N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 801270
N-(3-chloro-4-fluorophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 861424
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
CID 5169413

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (CID 2344699) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is O=C(CSC1=NCCS1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The InChIKey is CODJPBZWBSNDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2OS2/c13-7-1-2-9(8(5-7)12(14,15)16)18-10(19)6-21-11-17-3-4-20-11/h1-2,5H,3-4,6H2,(H,18,19).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide has a molecular weight of 354.81 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 2344699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).