N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C9H7F3N4OS — CID 84554412

IUPACN-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2scnc2C(F)(F)F)n[nH]1
InChIInChI=1S/C9H7F3N4OS/c1-4-2-5(16-15-4)14-8(17)6-7(9(10,11)12)13-3-18-6/h2-3H,1H3,(H2,14,15,16,17)
InChIKeyJCYREYRCMHTQFJ-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.45
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84554412) has the molecular formula C9H7F3N4OS and a molecular weight of 276.24 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84554412
Molecular FormulaC9H7F3N4OS
Molecular Weight276.24 g/mol
Exact Mass276.03
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2scnc2C(F)(F)F)n[nH]1
InChIInChI=1S/C9H7F3N4OS/c1-4-2-5(16-15-4)14-8(17)6-7(9(10,11)12)13-3-18-6/h2-3H,1H3,(H2,14,15,16,17)
InChIKeyJCYREYRCMHTQFJ-UHFFFAOYSA-N
XLogP2.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84554412) is N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is Cc1cc(NC(=O)c2scnc2C(F)(F)F)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JCYREYRCMHTQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4OS/c1-4-2-5(16-15-4)14-8(17)6-7(9(10,11)12)13-3-18-6/h2-3H,1H3,(H2,14,15,16,17).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 276.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84554412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).