N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

C14H15F3N6OS — CID 17446874

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC1=NCCS1
InChIInChI=1S/C14H15F3N6OS/c1-7-9(3-4-10(24)20-13-18-5-6-25-13)8(2)23-12(19-7)21-11(22-23)14(15,16)17/h3-6H2,1-2H3,(H,18,20,24)
InChIKeySIIOXVHJSYAQHU-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.91
Rot. Bonds3

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 17446874) has the molecular formula C14H15F3N6OS and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID17446874
Molecular FormulaC14H15F3N6OS
Molecular Weight372.38 g/mol
Exact Mass372.10
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC1=NCCS1
InChIInChI=1S/C14H15F3N6OS/c1-7-9(3-4-10(24)20-13-18-5-6-25-13)8(2)23-12(19-7)21-11(22-23)14(15,16)17/h3-6H2,1-2H3,(H,18,20,24)
InChIKeySIIOXVHJSYAQHU-UHFFFAOYSA-N
XLogP1.91
TPSA84.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 17446874) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)NC1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
The InChIKey is SIIOXVHJSYAQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6OS/c1-7-9(3-4-10(24)20-13-18-5-6-25-13)8(2)23-12(19-7)21-11(22-23)14(15,16)17/h3-6H2,1-2H3,(H,18,20,24).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 372.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 17446874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).