2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine

C10H11F2N3S — CID 162563915

IUPAC2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine
SMILESNCC(c1cscn1)N1C=CC(F)(F)C=C1
InChIInChI=1S/C10H11F2N3S/c11-10(12)1-3-15(4-2-10)9(5-13)8-6-16-7-14-8/h1-4,6-7,9H,5,13H2
InChIKeyVXVMYDMBXJBNTB-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.12
Rot. Bonds3

About 2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine

2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine (PubChem CID 162563915) has the molecular formula C10H11F2N3S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine
PubChem CID162563915
Molecular FormulaC10H11F2N3S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine
SMILESNCC(c1cscn1)N1C=CC(F)(F)C=C1
InChIInChI=1S/C10H11F2N3S/c11-10(12)1-3-15(4-2-10)9(5-13)8-6-16-7-14-8/h1-4,6-7,9H,5,13H2
InChIKeyVXVMYDMBXJBNTB-UHFFFAOYSA-N
XLogP2.12
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine (CID 162563915) is 2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine is NCC(c1cscn1)N1C=CC(F)(F)C=C1.
What is the InChIKey of 2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine?
The InChIKey is VXVMYDMBXJBNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3S/c11-10(12)1-3-15(4-2-10)9(5-13)8-6-16-7-14-8/h1-4,6-7,9H,5,13H2.
What are the key properties of 2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine?
2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine has a molecular weight of 243.28 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-1-pyridinyl)-2-(1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 162563915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).