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

C12H10ClF3N2OS2 — CID 5169413

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H10ClF3N2OS2/c13-8-2-1-7(12(14,15)16)5-9(8)18-10(19)6-21-11-17-3-4-20-11/h1-2,5H,3-4,6H2,(H,18,19)
InChIKeyBOLCRDPDTXAQJT-UHFFFAOYSA-N
MW354.81 g/mol
LogP4.13
Rot. Bonds3

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (PubChem CID 5169413) has the molecular formula C12H10ClF3N2OS2 and a molecular weight of 354.81 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
PubChem CID5169413
Molecular FormulaC12H10ClF3N2OS2
Molecular Weight354.81 g/mol
Exact Mass353.99
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide
SMILESO=C(CSC1=NCCS1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H10ClF3N2OS2/c13-8-2-1-7(12(14,15)16)5-9(8)18-10(19)6-21-11-17-3-4-20-11/h1-2,5H,3-4,6H2,(H,18,19)
InChIKeyBOLCRDPDTXAQJT-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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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide (CID 5169413) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is O=C(CSC1=NCCS1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
The InChIKey is BOLCRDPDTXAQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2OS2/c13-8-2-1-7(12(14,15)16)5-9(8)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-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide?
N-[2-chloro-5-(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-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 5169413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).