N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C8H4F3N3OS2 — CID 84561344

IUPACN-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1nccs1)c1scnc1C(F)(F)F
InChIInChI=1S/C8H4F3N3OS2/c9-8(10,11)5-4(17-3-13-5)6(15)14-7-12-1-2-16-7/h1-3H,(H,12,14,15)
InChIKeyOXXSSJLSZOZMBX-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.87
Rot. Bonds2

About N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84561344) has the molecular formula C8H4F3N3OS2 and a molecular weight of 279.27 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84561344
Molecular FormulaC8H4F3N3OS2
Molecular Weight279.27 g/mol
Exact Mass278.97
IUPAC NameN-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1nccs1)c1scnc1C(F)(F)F
InChIInChI=1S/C8H4F3N3OS2/c9-8(10,11)5-4(17-3-13-5)6(15)14-7-12-1-2-16-7/h1-3H,(H,12,14,15)
InChIKeyOXXSSJLSZOZMBX-UHFFFAOYSA-N
XLogP2.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84561344) is N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(Nc1nccs1)c1scnc1C(F)(F)F.
What is the InChIKey of N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OXXSSJLSZOZMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3OS2/c9-8(10,11)5-4(17-3-13-5)6(15)14-7-12-1-2-16-7/h1-3H,(H,12,14,15).
What are the key properties of N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 279.27 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84561344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).