N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

C10H10F3N3S2 — CID 106783541

IUPACN-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cscn1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H10F3N3S2/c1-2-14-8(6-4-17-5-16-6)7-3-15-9(18-7)10(11,12)13/h3-5,8,14H,2H2,1H3
InChIKeyIVNHXXXIGMDLDB-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.32
Rot. Bonds4

About N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 106783541) has the molecular formula C10H10F3N3S2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID106783541
Molecular FormulaC10H10F3N3S2
Molecular Weight293.34 g/mol
Exact Mass293.03
IUPAC NameN-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNC(c1cscn1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C10H10F3N3S2/c1-2-14-8(6-4-17-5-16-6)7-3-15-9(18-7)10(11,12)13/h3-5,8,14H,2H2,1H3
InChIKeyIVNHXXXIGMDLDB-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 106783541) is N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNC(c1cscn1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is IVNHXXXIGMDLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3S2/c1-2-14-8(6-4-17-5-16-6)7-3-15-9(18-7)10(11,12)13/h3-5,8,14H,2H2,1H3.
What are the key properties of N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 293.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 106783541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).