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

C15H17F3N2S — CID 61334029

IUPACN-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCc1csc(C(NC(C)C)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H17F3N2S/c1-9(2)19-13(14-20-10(3)8-21-14)11-6-4-5-7-12(11)15(16,17)18/h4-9,13,19H,1-3H3
InChIKeyYQULPZQIYOMNJK-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.56
Rot. Bonds4

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

N-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine (PubChem CID 61334029) has the molecular formula C15H17F3N2S and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
PubChem CID61334029
Molecular FormulaC15H17F3N2S
Molecular Weight314.38 g/mol
Exact Mass314.11
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCc1csc(C(NC(C)C)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H17F3N2S/c1-9(2)19-13(14-20-10(3)8-21-14)11-6-4-5-7-12(11)15(16,17)18/h4-9,13,19H,1-3H3
InChIKeyYQULPZQIYOMNJK-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
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-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine (CID 61334029) is N-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine is Cc1csc(C(NC(C)C)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The InChIKey is YQULPZQIYOMNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2S/c1-9(2)19-13(14-20-10(3)8-21-14)11-6-4-5-7-12(11)15(16,17)18/h4-9,13,19H,1-3H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
N-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine has a molecular weight of 314.38 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)-[2-(trifluoromethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 61334029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).