N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine

C14H15F3N2OS — CID 103701913

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCCc1cnc(CNCc2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C14H15F3N2OS/c1-2-12-8-19-13(21-12)9-18-7-10-3-5-11(6-4-10)20-14(15,16)17/h3-6,8,18H,2,7,9H2,1H3
InChIKeyCSIPKSJVKOVBAY-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.89
Rot. Bonds6

About N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 103701913) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID103701913
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESCCc1cnc(CNCc2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C14H15F3N2OS/c1-2-12-8-19-13(21-12)9-18-7-10-3-5-11(6-4-10)20-14(15,16)17/h3-6,8,18H,2,7,9H2,1H3
InChIKeyCSIPKSJVKOVBAY-UHFFFAOYSA-N
XLogP3.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine (CID 103701913) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine is CCc1cnc(CNCc2ccc(OC(F)(F)F)cc2)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is CSIPKSJVKOVBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-2-12-8-19-13(21-12)9-18-7-10-3-5-11(6-4-10)20-14(15,16)17/h3-6,8,18H,2,7,9H2,1H3.
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 316.35 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 103701913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).