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

C11H12F3N3S2 — CID 106783542

IUPACN-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1cscn1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H12F3N3S2/c1-2-3-15-9(7-5-18-6-17-7)8-4-16-10(19-8)11(12,13)14/h4-6,9,15H,2-3H2,1H3
InChIKeyWHYNMYNNOFBJBH-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.71
Rot. Bonds5

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

N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 106783542) has the molecular formula C11H12F3N3S2 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID106783542
Molecular FormulaC11H12F3N3S2
Molecular Weight307.37 g/mol
Exact Mass307.04
IUPAC NameN-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNC(c1cscn1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H12F3N3S2/c1-2-3-15-9(7-5-18-6-17-7)8-4-16-10(19-8)11(12,13)14/h4-6,9,15H,2-3H2,1H3
InChIKeyWHYNMYNNOFBJBH-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.71
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]propan-1-amine?
The IUPAC name of N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 106783542) is N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNC(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]propan-1-amine?
The InChIKey is WHYNMYNNOFBJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3S2/c1-2-3-15-9(7-5-18-6-17-7)8-4-16-10(19-8)11(12,13)14/h4-6,9,15H,2-3H2,1H3.
What are the key properties of N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[1,3-thiazol-4-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 307.37 g/mol, XLogP of 3.71, 5 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]propan-1-amine is sourced from PubChem (CID 106783542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).