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

C19H13F3N4OS2 — CID 27477394

IUPACN-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2C(F)(F)F)n(-c2nc(-c3cccs3)cs2)n1
InChIInChI=1S/C19H13F3N4OS2/c1-11-9-16(24-17(27)12-5-2-3-6-13(12)19(20,21)22)26(25-11)18-23-14(10-29-18)15-7-4-8-28-15/h2-10H,1H3,(H,24,27)
InChIKeyCZZWNHPPZLGQGU-UHFFFAOYSA-N
MW434.47 g/mol
LogP5.64
Rot. Bonds4

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

N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide (PubChem CID 27477394) has the molecular formula C19H13F3N4OS2 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
PubChem CID27477394
Molecular FormulaC19H13F3N4OS2
Molecular Weight434.47 g/mol
Exact Mass434.05
IUPAC NameN-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2C(F)(F)F)n(-c2nc(-c3cccs3)cs2)n1
InChIInChI=1S/C19H13F3N4OS2/c1-11-9-16(24-17(27)12-5-2-3-6-13(12)19(20,21)22)26(25-11)18-23-14(10-29-18)15-7-4-8-28-15/h2-10H,1H3,(H,24,27)
InChIKeyCZZWNHPPZLGQGU-UHFFFAOYSA-N
XLogP5.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.47
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide (CID 27477394) is N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide is Cc1cc(NC(=O)c2ccccc2C(F)(F)F)n(-c2nc(-c3cccs3)cs2)n1.
What is the InChIKey of N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is CZZWNHPPZLGQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4OS2/c1-11-9-16(24-17(27)12-5-2-3-6-13(12)19(20,21)22)26(25-11)18-23-14(10-29-18)15-7-4-8-28-15/h2-10H,1H3,(H,24,27).
What are the key properties of N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide?
N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 434.47 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 27477394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).