N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C13H14F3N5OS — CID 857436

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCc1nnc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)s1
InChIInChI=1S/C13H14F3N5OS/c1-7-18-19-12(23-7)17-10(22)6-21-9-5-3-2-4-8(9)11(20-21)13(14,15)16/h2-6H2,1H3,(H,17,19,22)
InChIKeyNQGSLIJDSJDMFU-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.58
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 857436) has the molecular formula C13H14F3N5OS and a molecular weight of 345.35 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID857436
Molecular FormulaC13H14F3N5OS
Molecular Weight345.35 g/mol
Exact Mass345.09
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCc1nnc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)s1
InChIInChI=1S/C13H14F3N5OS/c1-7-18-19-12(23-7)17-10(22)6-21-9-5-3-2-4-8(9)11(20-21)13(14,15)16/h2-6H2,1H3,(H,17,19,22)
InChIKeyNQGSLIJDSJDMFU-UHFFFAOYSA-N
XLogP2.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.58
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-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 857436) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is Cc1nnc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is NQGSLIJDSJDMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5OS/c1-7-18-19-12(23-7)17-10(22)6-21-9-5-3-2-4-8(9)11(20-21)13(14,15)16/h2-6H2,1H3,(H,17,19,22).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 345.35 g/mol, XLogP of 2.58, 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-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 857436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).