[4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol

C15H19N3O2S — CID 71973916

IUPAC[4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol
SMILESOCC1(NCc2cnc(-c3ccccn3)s2)CCOCC1
InChIInChI=1S/C15H19N3O2S/c19-11-15(4-7-20-8-5-15)18-10-12-9-17-14(21-12)13-3-1-2-6-16-13/h1-3,6,9,18-19H,4-5,7-8,10-11H2
InChIKeyHWLVWVRBPKSTOC-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.84
Rot. Bonds5

About [4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol

[4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol (PubChem CID 71973916) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is [4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol
PubChem CID71973916
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name[4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol
SMILESOCC1(NCc2cnc(-c3ccccn3)s2)CCOCC1
InChIInChI=1S/C15H19N3O2S/c19-11-15(4-7-20-8-5-15)18-10-12-9-17-14(21-12)13-3-1-2-6-16-13/h1-3,6,9,18-19H,4-5,7-8,10-11H2
InChIKeyHWLVWVRBPKSTOC-UHFFFAOYSA-N
XLogP1.84
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol?
The IUPAC name of [4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol (CID 71973916) is [4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol is OCC1(NCc2cnc(-c3ccccn3)s2)CCOCC1.
What is the InChIKey of [4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol?
The InChIKey is HWLVWVRBPKSTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c19-11-15(4-7-20-8-5-15)18-10-12-9-17-14(21-12)13-3-1-2-6-16-13/h1-3,6,9,18-19H,4-5,7-8,10-11H2.
What are the key properties of [4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol?
[4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol has a molecular weight of 305.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-pyridin-2-yl-1,3-thiazol-5-yl)methylamino]oxan-4-yl]methanol is sourced from PubChem (CID 71973916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).