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

C12H14F3N5OS — CID 30257998

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)Cn2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C12H14F3N5OS/c1-7(2)5-10-17-18-11(22-10)16-9(21)6-20-4-3-8(19-20)12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,18,21)
InChIKeyZIQOBZJFSQOOIF-UHFFFAOYSA-N
MW333.34 g/mol
LogP2.59
Rot. Bonds5

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

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 30257998) has the molecular formula C12H14F3N5OS and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID30257998
Molecular FormulaC12H14F3N5OS
Molecular Weight333.34 g/mol
Exact Mass333.09
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC(C)Cc1nnc(NC(=O)Cn2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C12H14F3N5OS/c1-7(2)5-10-17-18-11(22-10)16-9(21)6-20-4-3-8(19-20)12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,18,21)
InChIKeyZIQOBZJFSQOOIF-UHFFFAOYSA-N
XLogP2.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 30257998) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC(C)Cc1nnc(NC(=O)Cn2ccc(C(F)(F)F)n2)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is ZIQOBZJFSQOOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5OS/c1-7(2)5-10-17-18-11(22-10)16-9(21)6-20-4-3-8(19-20)12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,18,21).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 333.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 30257998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).