N-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide

C16H14F3N5OS2 — CID 58267274

IUPACN-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1
InChIInChI=1S/C16H14F3N5OS2/c17-16(18,19)13-9-3-1-2-4-11(9)24(23-13)7-12-21-10(8-27-12)14(25)22-15-20-5-6-26-15/h5-6,8H,1-4,7H2,(H,20,22,25)
InChIKeyWRNDIBCYDXECQM-UHFFFAOYSA-N
MW413.45 g/mol
LogP3.99
Rot. Bonds4

About N-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide

N-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 58267274) has the molecular formula C16H14F3N5OS2 and a molecular weight of 413.45 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID58267274
Molecular FormulaC16H14F3N5OS2
Molecular Weight413.45 g/mol
Exact Mass413.06
IUPAC NameN-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1
InChIInChI=1S/C16H14F3N5OS2/c17-16(18,19)13-9-3-1-2-4-11(9)24(23-13)7-12-21-10(8-27-12)14(25)22-15-20-5-6-26-15/h5-6,8H,1-4,7H2,(H,20,22,25)
InChIKeyWRNDIBCYDXECQM-UHFFFAOYSA-N
XLogP3.99
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide (CID 58267274) is N-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(Nc1nccs1)c1csc(Cn2nc(C(F)(F)F)c3c2CCCC3)n1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WRNDIBCYDXECQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5OS2/c17-16(18,19)13-9-3-1-2-4-11(9)24(23-13)7-12-21-10(8-27-12)14(25)22-15-20-5-6-26-15/h5-6,8H,1-4,7H2,(H,20,22,25).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide?
N-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 413.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58267274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).