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

C13H15F3N2OS — CID 106783674

IUPACN-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1cnc(C(F)(F)F)s1)c1occc1C
InChIInChI=1S/C13H15F3N2OS/c1-3-5-17-10(11-8(2)4-6-19-11)9-7-18-12(20-9)13(14,15)16/h4,6-7,10,17H,3,5H2,1-2H3
InChIKeyCUDSDCVWANYTEP-UHFFFAOYSA-N
MW304.34 g/mol
LogP4.15
Rot. Bonds5

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

N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 106783674) has the molecular formula C13H15F3N2OS and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID106783674
Molecular FormulaC13H15F3N2OS
Molecular Weight304.34 g/mol
Exact Mass304.09
IUPAC NameN-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1cnc(C(F)(F)F)s1)c1occc1C
InChIInChI=1S/C13H15F3N2OS/c1-3-5-17-10(11-8(2)4-6-19-11)9-7-18-12(20-9)13(14,15)16/h4,6-7,10,17H,3,5H2,1-2H3
InChIKeyCUDSDCVWANYTEP-UHFFFAOYSA-N
XLogP4.15
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 106783674) is N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNC(c1cnc(C(F)(F)F)s1)c1occc1C.
What is the InChIKey of N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is CUDSDCVWANYTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2OS/c1-3-5-17-10(11-8(2)4-6-19-11)9-7-18-12(20-9)13(14,15)16/h4,6-7,10,17H,3,5H2,1-2H3.
What are the key properties of N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 304.34 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylfuran-2-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 106783674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).