1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine

C11H11F3N4S — CID 82592531

IUPAC1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESNC1CCCc2c1c(C(F)(F)F)nn2-c1nccs1
InChIInChI=1S/C11H11F3N4S/c12-11(13,14)9-8-6(15)2-1-3-7(8)18(17-9)10-16-4-5-19-10/h4-6H,1-3,15H2
InChIKeyZUWWLQLSRNXSGK-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.68
Rot. Bonds1

About 1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine

1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 82592531) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID82592531
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC Name1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine
SMILESNC1CCCc2c1c(C(F)(F)F)nn2-c1nccs1
InChIInChI=1S/C11H11F3N4S/c12-11(13,14)9-8-6(15)2-1-3-7(8)18(17-9)10-16-4-5-19-10/h4-6H,1-3,15H2
InChIKeyZUWWLQLSRNXSGK-UHFFFAOYSA-N
XLogP2.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267395
N-(1,3-thiazol-2-yl)-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267474
2-[[3-(Trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole
CID 154128025
3-Methyl-2-thiazol-2-yl-4,5,6,7-tetrahydro-2h-indazole
CID 129827968
2-[3-(Trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
CID 82587066
2-[3-(3,4-Difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
CID 82588063
2-[3-(3,5-Difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
CID 82588492
2-[3-(2,4-Difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-1,3-thiazole
CID 82588516
1-(4-Methyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 133650170
2-[1-(1,3-Thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
CID 133650197
2-[1-(1,3-Thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-yl]acetonitrile
CID 133658509
N-methyl-N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 138026084

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine (CID 82592531) is 1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine is NC1CCCc2c1c(C(F)(F)F)nn2-c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is ZUWWLQLSRNXSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c12-11(13,14)9-8-6(15)2-1-3-7(8)18(17-9)10-16-4-5-19-10/h4-6H,1-3,15H2.
What are the key properties of 1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine?
1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 288.30 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 82592531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).