N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine

C12H13F3N4S — CID 136569097

IUPACN-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine
SMILESFC(F)(F)c1nc(CNC2CCc3cn[nH]c3C2)cs1
InChIInChI=1S/C12H13F3N4S/c13-12(14,15)11-18-9(6-20-11)5-16-8-2-1-7-4-17-19-10(7)3-8/h4,6,8,16H,1-3,5H2,(H,17,19)
InChIKeyZJSUPVIXVSJJGV-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.53
Rot. Bonds3

About N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine

N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine (PubChem CID 136569097) has the molecular formula C12H13F3N4S and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine
PubChem CID136569097
Molecular FormulaC12H13F3N4S
Molecular Weight302.33 g/mol
Exact Mass302.08
IUPAC NameN-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine
SMILESFC(F)(F)c1nc(CNC2CCc3cn[nH]c3C2)cs1
InChIInChI=1S/C12H13F3N4S/c13-12(14,15)11-18-9(6-20-11)5-16-8-2-1-7-4-17-19-10(7)3-8/h4,6,8,16H,1-3,5H2,(H,17,19)
InChIKeyZJSUPVIXVSJJGV-UHFFFAOYSA-N
XLogP2.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine?
The IUPAC name of N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine (CID 136569097) is N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine.
What is the SMILES notation for N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine?
The canonical SMILES for N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine is FC(F)(F)c1nc(CNC2CCc3cn[nH]c3C2)cs1.
What is the InChIKey of N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine?
The InChIKey is ZJSUPVIXVSJJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4S/c13-12(14,15)11-18-9(6-20-11)5-16-8-2-1-7-4-17-19-10(7)3-8/h4,6,8,16H,1-3,5H2,(H,17,19).
What are the key properties of N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine?
N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine has a molecular weight of 302.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazol-6-amine is sourced from PubChem (CID 136569097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).