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

C17H16N2S — CID 2359903

IUPAC3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1cccc(NCc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H16N2S/c1-13-6-5-9-15(10-13)18-11-16-12-20-17(19-16)14-7-3-2-4-8-14/h2-10,12,18H,11H2,1H3
InChIKeyFHSASIXGSXUQOO-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.73
Rot. Bonds4

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

3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline (PubChem CID 2359903) has the molecular formula C17H16N2S and a molecular weight of 280.40 g/mol. Its IUPAC name is 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline
PubChem CID2359903
Molecular FormulaC17H16N2S
Molecular Weight280.40 g/mol
Exact Mass280.10
IUPAC Name3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline
SMILESCc1cccc(NCc2csc(-c3ccccc3)n2)c1
InChIInChI=1S/C17H16N2S/c1-13-6-5-9-15(10-13)18-11-16-12-20-17(19-16)14-7-3-2-4-8-14/h2-10,12,18H,11H2,1H3
InChIKeyFHSASIXGSXUQOO-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline?
The IUPAC name of 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline (CID 2359903) is 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline?
The canonical SMILES for 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline is Cc1cccc(NCc2csc(-c3ccccc3)n2)c1.
What is the InChIKey of 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline?
The InChIKey is FHSASIXGSXUQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2S/c1-13-6-5-9-15(10-13)18-11-16-12-20-17(19-16)14-7-3-2-4-8-14/h2-10,12,18H,11H2,1H3.
What are the key properties of 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline?
3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline has a molecular weight of 280.40 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline is sourced from PubChem (CID 2359903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).