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

C13H15N3OS — CID 122149495

IUPAC4-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]morpholine
SMILESCc1ncccc1-c1csc(N2CCOCC2)n1
InChIInChI=1S/C13H15N3OS/c1-10-11(3-2-4-14-10)12-9-18-13(15-12)16-5-7-17-8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyBUQLSNCHJKCXKU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.35
Rot. Bonds2

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

4-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 122149495) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]morpholine
PubChem CID122149495
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]morpholine
SMILESCc1ncccc1-c1csc(N2CCOCC2)n1
InChIInChI=1S/C13H15N3OS/c1-10-11(3-2-4-14-10)12-9-18-13(15-12)16-5-7-17-8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyBUQLSNCHJKCXKU-UHFFFAOYSA-N
XLogP2.35
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]morpholine (CID 122149495) is 4-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]morpholine is Cc1ncccc1-c1csc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is BUQLSNCHJKCXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-10-11(3-2-4-14-10)12-9-18-13(15-12)16-5-7-17-8-6-16/h2-4,9H,5-8H2,1H3.
What are the key properties of 4-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]morpholine?
4-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 261.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methyl-3-pyridinyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 122149495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).