N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C15H9Cl2F3N4OS — CID 2471055

IUPACN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C15H9Cl2F3N4OS/c16-8-1-2-10(17)9(5-8)11-7-26-14(21-11)22-13(25)6-24-4-3-12(23-24)15(18,19)20/h1-5,7H,6H2,(H,21,22,25)
InChIKeyIFXVUCGPMHXIFO-UHFFFAOYSA-N
MW421.23 g/mol
LogP4.97
Rot. Bonds4

About N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 2471055) has the molecular formula C15H9Cl2F3N4OS and a molecular weight of 421.23 g/mol. Its IUPAC name is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID2471055
Molecular FormulaC15H9Cl2F3N4OS
Molecular Weight421.23 g/mol
Exact Mass419.98
IUPAC NameN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C15H9Cl2F3N4OS/c16-8-1-2-10(17)9(5-8)11-7-26-14(21-11)22-13(25)6-24-4-3-12(23-24)15(18,19)20/h1-5,7H,6H2,(H,21,22,25)
InChIKeyIFXVUCGPMHXIFO-UHFFFAOYSA-N
XLogP4.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.23
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 2359661
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9322110
N-(4-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26696400
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]pentanamide
CID 2372983
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951199
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530737
3-chloro-5-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoic acid
CID 167822851
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 30246197
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 31847833
1-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,4-dimethylphenyl)urea
CID 121080421
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199136
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 2471055) is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1.
What is the InChIKey of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is IFXVUCGPMHXIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N4OS/c16-8-1-2-10(17)9(5-8)11-7-26-14(21-11)22-13(25)6-24-4-3-12(23-24)15(18,19)20/h1-5,7H,6H2,(H,21,22,25).
What are the key properties of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 421.23 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 2471055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).