4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine

C13H15N3OS — CID 100654198

IUPAC4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine
SMILESc1cncc(-c2ncc(CN3CCOCC3)s2)c1
InChIInChI=1S/C13H15N3OS/c1-2-11(8-14-3-1)13-15-9-12(18-13)10-16-4-6-17-7-5-16/h1-3,8-9H,4-7,10H2
InChIKeyQOCHAYVBAZLVGB-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.04
Rot. Bonds3

About 4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine

4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine (PubChem CID 100654198) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine
PubChem CID100654198
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine
SMILESc1cncc(-c2ncc(CN3CCOCC3)s2)c1
InChIInChI=1S/C13H15N3OS/c1-2-11(8-14-3-1)13-15-9-12(18-13)10-16-4-6-17-7-5-16/h1-3,8-9H,4-7,10H2
InChIKeyQOCHAYVBAZLVGB-UHFFFAOYSA-N
XLogP2.04
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine?
The IUPAC name of 4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine (CID 100654198) is 4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine is c1cncc(-c2ncc(CN3CCOCC3)s2)c1.
What is the InChIKey of 4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine?
The InChIKey is QOCHAYVBAZLVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-11(8-14-3-1)13-15-9-12(18-13)10-16-4-6-17-7-5-16/h1-3,8-9H,4-7,10H2.
What are the key properties of 4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine?
4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine has a molecular weight of 261.35 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 100654198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).