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

C8H5F3N4OS — CID 84554411

IUPACN-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1scnc1C(F)(F)F
InChIInChI=1S/C8H5F3N4OS/c9-8(10,11)6-5(17-3-12-6)7(16)14-4-1-2-13-15-4/h1-3H,(H2,13,14,15,16)
InChIKeyQDAGCZVDDGXCMP-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.14
Rot. Bonds2

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

N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84554411) has the molecular formula C8H5F3N4OS and a molecular weight of 262.22 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84554411
Molecular FormulaC8H5F3N4OS
Molecular Weight262.22 g/mol
Exact Mass262.01
IUPAC NameN-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1scnc1C(F)(F)F
InChIInChI=1S/C8H5F3N4OS/c9-8(10,11)6-5(17-3-12-6)7(16)14-4-1-2-13-15-4/h1-3H,(H2,13,14,15,16)
InChIKeyQDAGCZVDDGXCMP-UHFFFAOYSA-N
XLogP2.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84554411) is N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ccn[nH]1)c1scnc1C(F)(F)F.
What is the InChIKey of N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QDAGCZVDDGXCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4OS/c9-8(10,11)6-5(17-3-12-6)7(16)14-4-1-2-13-15-4/h1-3H,(H2,13,14,15,16).
What are the key properties of N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 262.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84554411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).