N-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine

C13H13F3N4S — CID 143497222

IUPACN-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine
SMILESCCN1NC(Nc2nccs2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H13F3N4S/c1-2-20-10-4-3-8(13(14,15)16)7-9(10)11(19-20)18-12-17-5-6-21-12/h3-7,11,19H,2H2,1H3,(H,17,18)
InChIKeyYDROSMDVFDJQJD-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.62
Rot. Bonds3

About N-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine

N-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 143497222) has the molecular formula C13H13F3N4S and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine
PubChem CID143497222
Molecular FormulaC13H13F3N4S
Molecular Weight314.34 g/mol
Exact Mass314.08
IUPAC NameN-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine
SMILESCCN1NC(Nc2nccs2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H13F3N4S/c1-2-20-10-4-3-8(13(14,15)16)7-9(10)11(19-20)18-12-17-5-6-21-12/h3-7,11,19H,2H2,1H3,(H,17,18)
InChIKeyYDROSMDVFDJQJD-UHFFFAOYSA-N
XLogP3.62
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine (CID 143497222) is N-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine is CCN1NC(Nc2nccs2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of N-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is YDROSMDVFDJQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4S/c1-2-20-10-4-3-8(13(14,15)16)7-9(10)11(19-20)18-12-17-5-6-21-12/h3-7,11,19H,2H2,1H3,(H,17,18).
What are the key properties of N-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine?
N-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 314.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 143497222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).