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

C15H15F3N4O2S — CID 16673278

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCC(=O)c1csc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)n1
InChIInChI=1S/C15H15F3N4O2S/c1-8(23)10-7-25-14(19-10)20-12(24)6-22-11-5-3-2-4-9(11)13(21-22)15(16,17)18/h7H,2-6H2,1H3,(H,19,20,24)
InChIKeyXDHVVNIETIVJQU-UHFFFAOYSA-N
MW372.37 g/mol
LogP3.08
Rot. Bonds4

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

N-(4-acetyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 16673278) has the molecular formula C15H15F3N4O2S and a molecular weight of 372.37 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID16673278
Molecular FormulaC15H15F3N4O2S
Molecular Weight372.37 g/mol
Exact Mass372.09
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCC(=O)c1csc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)n1
InChIInChI=1S/C15H15F3N4O2S/c1-8(23)10-7-25-14(19-10)20-12(24)6-22-11-5-3-2-4-9(11)13(21-22)15(16,17)18/h7H,2-6H2,1H3,(H,19,20,24)
InChIKeyXDHVVNIETIVJQU-UHFFFAOYSA-N
XLogP3.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 16673278) is N-(4-acetyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is CC(=O)c1csc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is XDHVVNIETIVJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2S/c1-8(23)10-7-25-14(19-10)20-12(24)6-22-11-5-3-2-4-9(11)13(21-22)15(16,17)18/h7H,2-6H2,1H3,(H,19,20,24).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(4-acetyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 372.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 16673278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).