[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine

C13H15N3OS — CID 116969581

IUPAC[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine
SMILESNCC1(Cc2nc(-c3cccnc3)cs2)COC1
InChIInChI=1S/C13H15N3OS/c14-7-13(8-17-9-13)4-12-16-11(6-18-12)10-2-1-3-15-5-10/h1-3,5-6H,4,7-9,14H2
InChIKeySQJRLRSHOWMYFI-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.72
Rot. Bonds4

About [3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine

[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine (PubChem CID 116969581) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is [3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine
PubChem CID116969581
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine
SMILESNCC1(Cc2nc(-c3cccnc3)cs2)COC1
InChIInChI=1S/C13H15N3OS/c14-7-13(8-17-9-13)4-12-16-11(6-18-12)10-2-1-3-15-5-10/h1-3,5-6H,4,7-9,14H2
InChIKeySQJRLRSHOWMYFI-UHFFFAOYSA-N
XLogP1.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine?
The IUPAC name of [3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine (CID 116969581) is [3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine.
What is the SMILES notation for [3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine?
The canonical SMILES for [3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine is NCC1(Cc2nc(-c3cccnc3)cs2)COC1.
What is the InChIKey of [3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine?
The InChIKey is SQJRLRSHOWMYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-7-13(8-17-9-13)4-12-16-11(6-18-12)10-2-1-3-15-5-10/h1-3,5-6H,4,7-9,14H2.
What are the key properties of [3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine?
[3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine has a molecular weight of 261.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)methyl]oxetan-3-yl]methanamine is sourced from PubChem (CID 116969581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).