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

C14H16F3N5OS — CID 1457987

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCCc1nnc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)s1
InChIInChI=1S/C14H16F3N5OS/c1-2-11-19-20-13(24-11)18-10(23)7-22-9-6-4-3-5-8(9)12(21-22)14(15,16)17/h2-7H2,1H3,(H,18,20,23)
InChIKeyQRAIZZCGFBBGGM-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.83
Rot. Bonds4

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 1457987) has the molecular formula C14H16F3N5OS and a molecular weight of 359.38 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID1457987
Molecular FormulaC14H16F3N5OS
Molecular Weight359.38 g/mol
Exact Mass359.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCCc1nnc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)s1
InChIInChI=1S/C14H16F3N5OS/c1-2-11-19-20-13(24-11)18-10(23)7-22-9-6-4-3-5-8(9)12(21-22)14(15,16)17/h2-7H2,1H3,(H,18,20,23)
InChIKeyQRAIZZCGFBBGGM-UHFFFAOYSA-N
XLogP2.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 1457987) is N-(5-ethyl-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-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is CCc1nnc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is QRAIZZCGFBBGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5OS/c1-2-11-19-20-13(24-11)18-10(23)7-22-9-6-4-3-5-8(9)12(21-22)14(15,16)17/h2-7H2,1H3,(H,18,20,23).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 359.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 1457987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).