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

C12H13F3N2S2 — CID 106783021

IUPACN-[thiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H13F3N2S2/c1-2-4-16-10(8-3-5-18-7-8)9-6-17-11(19-9)12(13,14)15/h3,5-7,10,16H,2,4H2,1H3
InChIKeyFFGYAFSHSAZLKZ-UHFFFAOYSA-N
MW306.38 g/mol
LogP4.31
Rot. Bonds5

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

N-[thiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 106783021) has the molecular formula C12H13F3N2S2 and a molecular weight of 306.38 g/mol. Its IUPAC name is N-[thiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[thiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID106783021
Molecular FormulaC12H13F3N2S2
Molecular Weight306.38 g/mol
Exact Mass306.05
IUPAC NameN-[thiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C12H13F3N2S2/c1-2-4-16-10(8-3-5-18-7-8)9-6-17-11(19-9)12(13,14)15/h3,5-7,10,16H,2,4H2,1H3
InChIKeyFFGYAFSHSAZLKZ-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[thiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[thiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 106783021) is N-[thiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[thiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[thiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNC(c1ccsc1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[thiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is FFGYAFSHSAZLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2S2/c1-2-4-16-10(8-3-5-18-7-8)9-6-17-11(19-9)12(13,14)15/h3,5-7,10,16H,2,4H2,1H3.
What are the key properties of N-[thiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[thiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 306.38 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[thiophen-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 106783021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).