[2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine

C16H12F2N2S — CID 64717494

IUPAC[2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESNCc1nc(-c2cc(F)ccc2F)sc1-c1ccccc1
InChIInChI=1S/C16H12F2N2S/c17-11-6-7-13(18)12(8-11)16-20-14(9-19)15(21-16)10-4-2-1-3-5-10/h1-8H,9,19H2
InChIKeyWZCUZTZLKDXTFG-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.21
Rot. Bonds3

About [2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine

[2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine (PubChem CID 64717494) has the molecular formula C16H12F2N2S and a molecular weight of 302.35 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
PubChem CID64717494
Molecular FormulaC16H12F2N2S
Molecular Weight302.35 g/mol
Exact Mass302.07
IUPAC Name[2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
SMILESNCc1nc(-c2cc(F)ccc2F)sc1-c1ccccc1
InChIInChI=1S/C16H12F2N2S/c17-11-6-7-13(18)12(8-11)16-20-14(9-19)15(21-16)10-4-2-1-3-5-10/h1-8H,9,19H2
InChIKeyWZCUZTZLKDXTFG-UHFFFAOYSA-N
XLogP4.21
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine (CID 64717494) is [2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine is NCc1nc(-c2cc(F)ccc2F)sc1-c1ccccc1.
What is the InChIKey of [2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
The InChIKey is WZCUZTZLKDXTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2S/c17-11-6-7-13(18)12(8-11)16-20-14(9-19)15(21-16)10-4-2-1-3-5-10/h1-8H,9,19H2.
What are the key properties of [2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine?
[2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine has a molecular weight of 302.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluorophenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 64717494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).