N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide

C14H11F3N4OS — CID 108727760

IUPACN-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESCc1sc2nc(NC(=O)c3ccc(C(F)(F)F)cc3)nn2c1C
InChIInChI=1S/C14H11F3N4OS/c1-7-8(2)23-13-19-12(20-21(7)13)18-11(22)9-3-5-10(6-4-9)14(15,16)17/h3-6H,1-2H3,(H,18,20,22)
InChIKeyCXKKXFVNFHTFNS-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.68
Rot. Bonds2

About N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide

N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 108727760) has the molecular formula C14H11F3N4OS and a molecular weight of 340.33 g/mol. Its IUPAC name is N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID108727760
Molecular FormulaC14H11F3N4OS
Molecular Weight340.33 g/mol
Exact Mass340.06
IUPAC NameN-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESCc1sc2nc(NC(=O)c3ccc(C(F)(F)F)cc3)nn2c1C
InChIInChI=1S/C14H11F3N4OS/c1-7-8(2)23-13-19-12(20-21(7)13)18-11(22)9-3-5-10(6-4-9)14(15,16)17/h3-6H,1-2H3,(H,18,20,22)
InChIKeyCXKKXFVNFHTFNS-UHFFFAOYSA-N
XLogP3.68
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-propan-2-ylbenzamide
CID 108727684
2-(2-chlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 108751664
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-oxochromene-3-carboxamide
CID 108727609
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108751645
N-(5-methyl-1,2,4-oxadiazol-3-yl)-4-(trifluoromethyl)benzamide
CID 15212148
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 108751894
3-(4-chlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108727655
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108727703
4-chloro-N-(6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108763069
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
N-[5-(pyridine-4-carbonylamino)-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridine-4-carboxamide
CID 146650001
4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751770

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide (CID 108727760) is N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide is Cc1sc2nc(NC(=O)c3ccc(C(F)(F)F)cc3)nn2c1C.
What is the InChIKey of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is CXKKXFVNFHTFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4OS/c1-7-8(2)23-13-19-12(20-21(7)13)18-11(22)9-3-5-10(6-4-9)14(15,16)17/h3-6H,1-2H3,(H,18,20,22).
What are the key properties of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide?
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 340.33 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 108727760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).