2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine

C17H17N3S — CID 79782596

IUPAC2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNCCc1sc(Cc2ccncc2)nc1-c1ccccc1
InChIInChI=1S/C17H17N3S/c18-9-6-15-17(14-4-2-1-3-5-14)20-16(21-15)12-13-7-10-19-11-8-13/h1-5,7-8,10-11H,6,9,12,18H2
InChIKeyFVIXLEKVLBBOIM-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.30
Rot. Bonds5

About 2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine

2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 79782596) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID79782596
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine
SMILESNCCc1sc(Cc2ccncc2)nc1-c1ccccc1
InChIInChI=1S/C17H17N3S/c18-9-6-15-17(14-4-2-1-3-5-14)20-16(21-15)12-13-7-10-19-11-8-13/h1-5,7-8,10-11H,6,9,12,18H2
InChIKeyFVIXLEKVLBBOIM-UHFFFAOYSA-N
XLogP3.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine (CID 79782596) is 2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine is NCCc1sc(Cc2ccncc2)nc1-c1ccccc1.
What is the InChIKey of 2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is FVIXLEKVLBBOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c18-9-6-15-17(14-4-2-1-3-5-14)20-16(21-15)12-13-7-10-19-11-8-13/h1-5,7-8,10-11H,6,9,12,18H2.
What are the key properties of 2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine?
2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 295.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 79782596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).