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

C13H11F3N4S — CID 58990910

IUPACN-[1-ethyl-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine
SMILESCCn1nc(Nc2nccs2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H11F3N4S/c1-2-20-10-4-3-8(13(14,15)16)7-9(10)11(19-20)18-12-17-5-6-21-12/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyJPUVOLHNKNMYRD-UHFFFAOYSA-N
MW312.32 g/mol
LogP4.28
Rot. Bonds3

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

N-[1-ethyl-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 58990910) has the molecular formula C13H11F3N4S and a molecular weight of 312.32 g/mol. Its IUPAC name is N-[1-ethyl-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-ethyl-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine
PubChem CID58990910
Molecular FormulaC13H11F3N4S
Molecular Weight312.32 g/mol
Exact Mass312.07
IUPAC NameN-[1-ethyl-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine
SMILESCCn1nc(Nc2nccs2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C13H11F3N4S/c1-2-20-10-4-3-8(13(14,15)16)7-9(10)11(19-20)18-12-17-5-6-21-12/h3-7H,2H2,1H3,(H,17,18,19)
InChIKeyJPUVOLHNKNMYRD-UHFFFAOYSA-N
XLogP4.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(dimethylamino)propyl]-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine
CID 25052208
N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 89458948
1-(4-aminobutyl)-N-(4,5-dihydrothiepin-2-yl)-5-(trifluoromethyl)indazol-3-amine
CID 152897643
2-ethyl-4-(hydroxymethyl)-6-(trifluoromethyl)phthalazin-1-one
CID 166874652
N-[5-(3-chloro-2-pyridinyl)-1-methylindazol-3-yl]-1,3-thiazol-2-amine
CID 87420112
2-[[1-ethyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-hydroxy-4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide
CID 54755559
2-[3-iodo-5-(trifluoromethyl)indazol-1-yl]acetic acid
CID 71223421
3-ethyl-2-methyl-6-(trifluoromethyl)indazole
CID 59514322
1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310424
1-butyl-3-phenyl-5-(trifluoromethyl)indazole
CID 69431115
6-N-(2,5-dimethylphenyl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22547046
N-[4-(trifluoromethyl)-1H-indazol-3-yl]-1,3-thiazol-2-amine
CID 25051864

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-ethyl-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine (CID 58990910) is N-[1-ethyl-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-ethyl-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-ethyl-5-(trifluoromethyl)indazol-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)indazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is JPUVOLHNKNMYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4S/c1-2-20-10-4-3-8(13(14,15)16)7-9(10)11(19-20)18-12-17-5-6-21-12/h3-7H,2H2,1H3,(H,17,18,19).
What are the key properties of N-[1-ethyl-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine?
N-[1-ethyl-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 312.32 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(trifluoromethyl)indazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58990910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).