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

C12H13F3N2OS — CID 106888389

IUPACN-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H13F3N2OS/c1-2-4-16-6-9-8(3-5-18-9)10-7-17-11(19-10)12(13,14)15/h3,5,7,16H,2,4,6H2,1H3
InChIKeyHHCQOYXEPMDIPD-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.92
Rot. Bonds5

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

N-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine (PubChem CID 106888389) has the molecular formula C12H13F3N2OS and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine
PubChem CID106888389
Molecular FormulaC12H13F3N2OS
Molecular Weight290.31 g/mol
Exact Mass290.07
IUPAC NameN-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1-c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H13F3N2OS/c1-2-4-16-6-9-8(3-5-18-9)10-7-17-11(19-10)12(13,14)15/h3,5,7,16H,2,4,6H2,1H3
InChIKeyHHCQOYXEPMDIPD-UHFFFAOYSA-N
XLogP3.92
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-fluoro-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methyl]propan-1-amine
CID 106783983
N-[(3-thiophen-2-ylfuran-2-yl)methyl]propan-1-amine
CID 106886915
5-[2-(propylaminomethyl)furan-3-yl]thiophene-2-carbonitrile
CID 106886980
N-[[3-(6-methyl-3-pyridinyl)furan-2-yl]methyl]propan-1-amine
CID 106887175
N-[1-[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]ethyl]propan-1-amine
CID 106783952
N-[[3-(1,4-dimethylpyrazol-5-yl)furan-2-yl]methyl]propan-1-amine
CID 112742390
N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784387
N-[furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783247
N-[[3-(2,5-dimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887023
N-[[3-(2,4,6-trimethylphenyl)furan-2-yl]methyl]propan-1-amine
CID 106887808
N-[[3-(5-methylthiophen-3-yl)furan-2-yl]methyl]propan-1-amine
CID 106887380
5-ethyl-N-propyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784371

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine (CID 106888389) is N-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1-c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is HHCQOYXEPMDIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2OS/c1-2-4-16-6-9-8(3-5-18-9)10-7-17-11(19-10)12(13,14)15/h3,5,7,16H,2,4,6H2,1H3.
What are the key properties of N-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine?
N-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 290.31 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 106888389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).