N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C13H19F3N2S — CID 173218590

IUPACN-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCN(Cc1scnc1C(F)(F)F)CC1CCC1
InChIInChI=1S/C13H19F3N2S/c1-2-6-18(7-10-4-3-5-10)8-11-12(13(14,15)16)17-9-19-11/h9-10H,2-8H2,1H3
InChIKeyDRKASSLELVSNJT-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.17
Rot. Bonds6

About N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 173218590) has the molecular formula C13H19F3N2S and a molecular weight of 292.37 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID173218590
Molecular FormulaC13H19F3N2S
Molecular Weight292.37 g/mol
Exact Mass292.12
IUPAC NameN-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCN(Cc1scnc1C(F)(F)F)CC1CCC1
InChIInChI=1S/C13H19F3N2S/c1-2-6-18(7-10-4-3-5-10)8-11-12(13(14,15)16)17-9-19-11/h9-10H,2-8H2,1H3
InChIKeyDRKASSLELVSNJT-UHFFFAOYSA-N
XLogP4.17
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]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 N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 173218590) is N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCN(Cc1scnc1C(F)(F)F)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is DRKASSLELVSNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2S/c1-2-6-18(7-10-4-3-5-10)8-11-12(13(14,15)16)17-9-19-11/h9-10H,2-8H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 292.37 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 173218590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).