N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline

C14H15F3N2S — CID 75378943

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline
SMILESCc1nc(CNc2ccccc2CCC(F)(F)F)cs1
InChIInChI=1S/C14H15F3N2S/c1-10-19-12(9-20-10)8-18-13-5-3-2-4-11(13)6-7-14(15,16)17/h2-5,9,18H,6-8H2,1H3
InChIKeyYORLHPUZQSENHO-UHFFFAOYSA-N
MW300.35 g/mol
LogP4.56
Rot. Bonds5

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline (PubChem CID 75378943) has the molecular formula C14H15F3N2S and a molecular weight of 300.35 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline
PubChem CID75378943
Molecular FormulaC14H15F3N2S
Molecular Weight300.35 g/mol
Exact Mass300.09
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline
SMILESCc1nc(CNc2ccccc2CCC(F)(F)F)cs1
InChIInChI=1S/C14H15F3N2S/c1-10-19-12(9-20-10)8-18-13-5-3-2-4-11(13)6-7-14(15,16)17/h2-5,9,18H,6-8H2,1H3
InChIKeyYORLHPUZQSENHO-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline (CID 75378943) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline is Cc1nc(CNc2ccccc2CCC(F)(F)F)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline?
The InChIKey is YORLHPUZQSENHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S/c1-10-19-12(9-20-10)8-18-13-5-3-2-4-11(13)6-7-14(15,16)17/h2-5,9,18H,6-8H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline has a molecular weight of 300.35 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(3,3,3-trifluoropropyl)aniline is sourced from PubChem (CID 75378943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).