N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine

C12H15F3N4S — CID 62441952

IUPACN-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(Cn2ccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C12H15F3N4S/c1-8(2)16-5-11-17-9(7-20-11)6-19-4-3-10(18-19)12(13,14)15/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyBGUUVRIYBAMIDK-UHFFFAOYSA-N
MW304.34 g/mol
LogP2.90
Rot. Bonds5

About N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine

N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 62441952) has the molecular formula C12H15F3N4S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID62441952
Molecular FormulaC12H15F3N4S
Molecular Weight304.34 g/mol
Exact Mass304.10
IUPAC NameN-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(Cn2ccc(C(F)(F)F)n2)cs1
InChIInChI=1S/C12H15F3N4S/c1-8(2)16-5-11-17-9(7-20-11)6-19-4-3-10(18-19)12(13,14)15/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyBGUUVRIYBAMIDK-UHFFFAOYSA-N
XLogP2.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

1-[2-(2-Methyl-1,3-thiazol-4-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47223734
n-((2-Ethylthiazol-4-yl)methyl)-1-(1h-pyrazol-1-yl)propan-2-amine
CID 53522670
N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53559006
2-(4-methylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53614923
N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 72114638
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 75438787
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 84592705
N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 84592807
4-(chloromethyl)-2-(1-methyl-1H-pyrazol-3-yl)-1,3-thiazole
CID 65195624
1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
CID 75442708
N-methyl-1-(5-methyl-1-propyl-1H-pyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 77096062
2,4-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124616398

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 62441952) is N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nc(Cn2ccc(C(F)(F)F)n2)cs1.
What is the InChIKey of N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is BGUUVRIYBAMIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4S/c1-8(2)16-5-11-17-9(7-20-11)6-19-4-3-10(18-19)12(13,14)15/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 304.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62441952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).