N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C11H12F3N5OS — CID 4771031

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1nnc(NC(=O)C(C)n2nc(C(F)(F)F)cc2C)s1
InChIInChI=1S/C11H12F3N5OS/c1-5-4-8(11(12,13)14)18-19(5)6(2)9(20)15-10-17-16-7(3)21-10/h4,6H,1-3H3,(H,15,17,20)
InChIKeyVFGPDZDVOPMHAD-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.57
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 4771031) has the molecular formula C11H12F3N5OS and a molecular weight of 319.31 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID4771031
Molecular FormulaC11H12F3N5OS
Molecular Weight319.31 g/mol
Exact Mass319.07
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1nnc(NC(=O)C(C)n2nc(C(F)(F)F)cc2C)s1
InChIInChI=1S/C11H12F3N5OS/c1-5-4-8(11(12,13)14)18-19(5)6(2)9(20)15-10-17-16-7(3)21-10/h4,6H,1-3H3,(H,15,17,20)
InChIKeyVFGPDZDVOPMHAD-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 4771031) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1nnc(NC(=O)C(C)n2nc(C(F)(F)F)cc2C)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is VFGPDZDVOPMHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5OS/c1-5-4-8(11(12,13)14)18-19(5)6(2)9(20)15-10-17-16-7(3)21-10/h4,6H,1-3H3,(H,15,17,20).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 319.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 4771031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).