N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline

C14H15F3N2OS — CID 60983138

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
SMILESCCc1ncc(CNc2ccccc2OCC(F)(F)F)s1
InChIInChI=1S/C14H15F3N2OS/c1-2-13-19-8-10(21-13)7-18-11-5-3-4-6-12(11)20-9-14(15,16)17/h3-6,8,18H,2,7,9H2,1H3
InChIKeyANIIGEMKWFAELR-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.26
Rot. Bonds6

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline (PubChem CID 60983138) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
PubChem CID60983138
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline
SMILESCCc1ncc(CNc2ccccc2OCC(F)(F)F)s1
InChIInChI=1S/C14H15F3N2OS/c1-2-13-19-8-10(21-13)7-18-11-5-3-4-6-12(11)20-9-14(15,16)17/h3-6,8,18H,2,7,9H2,1H3
InChIKeyANIIGEMKWFAELR-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline (CID 60983138) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline is CCc1ncc(CNc2ccccc2OCC(F)(F)F)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline?
The InChIKey is ANIIGEMKWFAELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-2-13-19-8-10(21-13)7-18-11-5-3-4-6-12(11)20-9-14(15,16)17/h3-6,8,18H,2,7,9H2,1H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline has a molecular weight of 316.35 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 60983138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).