1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

C13H17F3N4S — CID 106785176

IUPAC1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1CCC(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H17F3N4S/c1-7-9(8(2)20(3)19-7)4-5-10(17)11-6-18-12(21-11)13(14,15)16/h6,10H,4-5,17H2,1-3H3
InChIKeyJMKDFIXEOWAOCU-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.14
Rot. Bonds4

About 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine

1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 106785176) has the molecular formula C13H17F3N4S and a molecular weight of 318.37 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID106785176
Molecular FormulaC13H17F3N4S
Molecular Weight318.37 g/mol
Exact Mass318.11
IUPAC Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1CCC(N)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C13H17F3N4S/c1-7-9(8(2)20(3)19-7)4-5-10(17)11-6-18-12(21-11)13(14,15)16/h6,10H,4-5,17H2,1-3H3
InChIKeyJMKDFIXEOWAOCU-UHFFFAOYSA-N
XLogP3.14
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 106785176) is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is Cc1nn(C)c(C)c1CCC(N)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is JMKDFIXEOWAOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4S/c1-7-9(8(2)20(3)19-7)4-5-10(17)11-6-18-12(21-11)13(14,15)16/h6,10H,4-5,17H2,1-3H3.
What are the key properties of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 318.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 106785176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).