N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine

C16H21F3N4S — CID 75475572

IUPACN-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
SMILESCC(C)c1ncc(CNC2CCCc3cn(CC(F)(F)F)nc32)s1
InChIInChI=1S/C16H21F3N4S/c1-10(2)15-21-7-12(24-15)6-20-13-5-3-4-11-8-23(22-14(11)13)9-16(17,18)19/h7-8,10,13,20H,3-6,9H2,1-2H3
InChIKeyHZDOYLURBPONJZ-UHFFFAOYSA-N
MW358.43 g/mol
LogP4.19
Rot. Bonds5

About N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine

N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine (PubChem CID 75475572) has the molecular formula C16H21F3N4S and a molecular weight of 358.43 g/mol. Its IUPAC name is N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine.

Molecular Properties

Compound NameN-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
PubChem CID75475572
Molecular FormulaC16H21F3N4S
Molecular Weight358.43 g/mol
Exact Mass358.14
IUPAC NameN-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
SMILESCC(C)c1ncc(CNC2CCCc3cn(CC(F)(F)F)nc32)s1
InChIInChI=1S/C16H21F3N4S/c1-10(2)15-21-7-12(24-15)6-20-13-5-3-4-11-8-23(22-14(11)13)9-16(17,18)19/h7-8,10,13,20H,3-6,9H2,1-2H3
InChIKeyHZDOYLURBPONJZ-UHFFFAOYSA-N
XLogP4.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(1,3-thiazol-4-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 72124279
1-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 72124310
1-ethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 72124311
2-[[3-(Trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]methyl]-1,3-thiazole
CID 154128025
(7R)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
CID 97346769
(7S)-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
CID 97346770
N-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106785130
1-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 106785176
(1,3-Dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785270
N-[(3-ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106785399
(3-Ethyl-1-methylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785418
(1,5-Dimethylpyrazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785429

Frequently Asked Questions

What is the IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The IUPAC name of N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine (CID 75475572) is N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine.
What is the SMILES notation for N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The canonical SMILES for N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine is CC(C)c1ncc(CNC2CCCc3cn(CC(F)(F)F)nc32)s1.
What is the InChIKey of N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine?
The InChIKey is HZDOYLURBPONJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4S/c1-10(2)15-21-7-12(24-15)6-20-13-5-3-4-11-8-23(22-14(11)13)9-16(17,18)19/h7-8,10,13,20H,3-6,9H2,1-2H3.
What are the key properties of N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine?
N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine has a molecular weight of 358.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine is sourced from PubChem (CID 75475572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).