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

C7H4F3N5OS — CID 84554018

IUPACN-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1scnc1C(F)(F)F
InChIInChI=1S/C7H4F3N5OS/c8-7(9,10)4-3(17-2-12-4)5(16)14-6-11-1-13-15-6/h1-2H,(H2,11,13,14,15,16)
InChIKeySBNAPWPAIFRZTO-UHFFFAOYSA-N
MW263.20 g/mol
LogP1.53
Rot. Bonds2

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

N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84554018) has the molecular formula C7H4F3N5OS and a molecular weight of 263.20 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84554018
Molecular FormulaC7H4F3N5OS
Molecular Weight263.20 g/mol
Exact Mass263.01
IUPAC NameN-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1scnc1C(F)(F)F
InChIInChI=1S/C7H4F3N5OS/c8-7(9,10)4-3(17-2-12-4)5(16)14-6-11-1-13-15-6/h1-2H,(H2,11,13,14,15,16)
InChIKeySBNAPWPAIFRZTO-UHFFFAOYSA-N
XLogP1.53
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84554018) is N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ncn[nH]1)c1scnc1C(F)(F)F.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is SBNAPWPAIFRZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N5OS/c8-7(9,10)4-3(17-2-12-4)5(16)14-6-11-1-13-15-6/h1-2H,(H2,11,13,14,15,16).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 263.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84554018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).