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

C11H12F3N5OS — CID 32624311

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)c1nnc(NC(=O)Cn2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C11H12F3N5OS/c1-6(2)9-16-17-10(21-9)15-8(20)5-19-4-3-7(18-19)11(12,13)14/h3-4,6H,5H2,1-2H3,(H,15,17,20)
InChIKeyXZTJSANEJNEVNT-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.52
Rot. Bonds4

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

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 32624311) has the molecular formula C11H12F3N5OS and a molecular weight of 319.31 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID32624311
Molecular FormulaC11H12F3N5OS
Molecular Weight319.31 g/mol
Exact Mass319.07
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)c1nnc(NC(=O)Cn2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C11H12F3N5OS/c1-6(2)9-16-17-10(21-9)15-8(20)5-19-4-3-7(18-19)11(12,13)14/h3-4,6H,5H2,1-2H3,(H,15,17,20)
InChIKeyXZTJSANEJNEVNT-UHFFFAOYSA-N
XLogP2.52
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 32624311) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(C)c1nnc(NC(=O)Cn2ccc(C(F)(F)F)n2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is XZTJSANEJNEVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5OS/c1-6(2)9-16-17-10(21-9)15-8(20)5-19-4-3-7(18-19)11(12,13)14/h3-4,6H,5H2,1-2H3,(H,15,17,20).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 319.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 32624311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).