N-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C13H17F3N4S — CID 106785130

IUPACN-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1cnc(C(F)(F)F)s1)c1cc(C)nn1C
InChIInChI=1S/C13H17F3N4S/c1-4-5-17-11(9-6-8(2)19-20(9)3)10-7-18-12(21-10)13(14,15)16/h6-7,11,17H,4-5H2,1-3H3
InChIKeyZZBLVXROYMPMNR-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.29
Rot. Bonds5

About N-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 106785130) has the molecular formula C13H17F3N4S and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID106785130
Molecular FormulaC13H17F3N4S
Molecular Weight318.37 g/mol
Exact Mass318.11
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1cnc(C(F)(F)F)s1)c1cc(C)nn1C
InChIInChI=1S/C13H17F3N4S/c1-4-5-17-11(9-6-8(2)19-20(9)3)10-7-18-12(21-10)13(14,15)16/h6-7,11,17H,4-5H2,1-3H3
InChIKeyZZBLVXROYMPMNR-UHFFFAOYSA-N
XLogP3.29
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 72121246
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CID 56906535
1-[(2,5-Dimethylpyrazol-3-yl)methyl]-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
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(1S)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)-1-(1,3-thiazol-2-yl)ethanamine
CID 132310161
2-(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-YL)thiazole
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5-Amino-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole
CID 66778917
N-[1-(5-fluoro-1,2-dihydropyridin-4-yl)ethenyl]-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-5-amine
CID 144338861
[1-(2-Methyl-1,3-thiazol-5-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propylidene]hydrazine
CID 176258597
5-Bromo-2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazole
CID 178710759
N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62441952
N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 106785130) is N-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNC(c1cnc(C(F)(F)F)s1)c1cc(C)nn1C.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is ZZBLVXROYMPMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4S/c1-4-5-17-11(9-6-8(2)19-20(9)3)10-7-18-12(21-10)13(14,15)16/h6-7,11,17H,4-5H2,1-3H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 318.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 106785130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).