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

C8H4F3N3OS2 — CID 175801084

IUPAC4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(C(F)(F)F)nc1-c1nccs1
InChIInChI=1S/C8H4F3N3OS2/c9-8(10,11)7-14-3(4(17-7)5(12)15)6-13-1-2-16-6/h1-2H,(H2,12,15)
InChIKeyXLTFLCKZOCNTKY-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.38
Rot. Bonds2

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

4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 175801084) has the molecular formula C8H4F3N3OS2 and a molecular weight of 279.27 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID175801084
Molecular FormulaC8H4F3N3OS2
Molecular Weight279.27 g/mol
Exact Mass278.97
IUPAC Name4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(C(F)(F)F)nc1-c1nccs1
InChIInChI=1S/C8H4F3N3OS2/c9-8(10,11)7-14-3(4(17-7)5(12)15)6-13-1-2-16-6/h1-2H,(H2,12,15)
InChIKeyXLTFLCKZOCNTKY-UHFFFAOYSA-N
XLogP2.38
TPSA68.87 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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 175801084) is 4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is NC(=O)c1sc(C(F)(F)F)nc1-c1nccs1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XLTFLCKZOCNTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3OS2/c9-8(10,11)7-14-3(4(17-7)5(12)15)6-13-1-2-16-6/h1-2H,(H2,12,15).
What are the key properties of 4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 279.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 175801084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).