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

C19H13F3N4OS2 — CID 26725814

IUPACN-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)Nc1cc(C(F)(F)F)ccc1-n1cccn1
InChIInChI=1S/C19H13F3N4OS2/c20-19(21,22)13-2-3-16(26-6-1-5-23-26)15(8-13)25-17(27)9-14-11-29-18(24-14)12-4-7-28-10-12/h1-8,10-11H,9H2,(H,25,27)
InChIKeyVNXNISBTRPXREE-UHFFFAOYSA-N
MW434.47 g/mol
LogP5.26
Rot. Bonds5

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

N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 26725814) has the molecular formula C19H13F3N4OS2 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID26725814
Molecular FormulaC19H13F3N4OS2
Molecular Weight434.47 g/mol
Exact Mass434.05
IUPAC NameN-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESO=C(Cc1csc(-c2ccsc2)n1)Nc1cc(C(F)(F)F)ccc1-n1cccn1
InChIInChI=1S/C19H13F3N4OS2/c20-19(21,22)13-2-3-16(26-6-1-5-23-26)15(8-13)25-17(27)9-14-11-29-18(24-14)12-4-7-28-10-12/h1-8,10-11H,9H2,(H,25,27)
InChIKeyVNXNISBTRPXREE-UHFFFAOYSA-N
XLogP5.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(2-fluorophenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
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2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 31974404
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CID 32279983
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CID 172442598
N-(2-amino-5-thiophen-3-ylphenyl)-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide
CID 172447114
N-(2-amino-5-thiophen-2-ylphenyl)-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide
CID 172451555
N-(2-amino-5-thiophen-3-ylphenyl)-3-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]triazol-4-yl]propanamide
CID 172451588
N-(2-amino-5-thiophen-2-ylphenyl)-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]triazol-4-yl]benzamide
CID 172454283
N-(2-amino-5-thiophen-2-ylphenyl)-5-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]triazol-4-yl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 26725814) is N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is O=C(Cc1csc(-c2ccsc2)n1)Nc1cc(C(F)(F)F)ccc1-n1cccn1.
What is the InChIKey of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is VNXNISBTRPXREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4OS2/c20-19(21,22)13-2-3-16(26-6-1-5-23-26)15(8-13)25-17(27)9-14-11-29-18(24-14)12-4-7-28-10-12/h1-8,10-11H,9H2,(H,25,27).
What are the key properties of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 434.47 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 26725814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).