(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine

C16H16N4OS — CID 95138385

IUPAC(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine
SMILESCc1csc([C@@H]2CN(c3cnc4ccccc4n3)CCO2)n1
InChIInChI=1S/C16H16N4OS/c1-11-10-22-16(18-11)14-9-20(6-7-21-14)15-8-17-12-4-2-3-5-13(12)19-15/h2-5,8,10,14H,6-7,9H2,1H3/t14-/m0/s1
InChIKeyWOHMAEXIPMZKHQ-AWEZNQCLSA-N
MW312.40 g/mol
LogP2.97
Rot. Bonds2

About (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine

(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine (PubChem CID 95138385) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine
PubChem CID95138385
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine
SMILESCc1csc([C@@H]2CN(c3cnc4ccccc4n3)CCO2)n1
InChIInChI=1S/C16H16N4OS/c1-11-10-22-16(18-11)14-9-20(6-7-21-14)15-8-17-12-4-2-3-5-13(12)19-15/h2-5,8,10,14H,6-7,9H2,1H3/t14-/m0/s1
InChIKeyWOHMAEXIPMZKHQ-AWEZNQCLSA-N
XLogP2.97
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine?
The IUPAC name of (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine (CID 95138385) is (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine.
What is the SMILES notation for (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine?
The canonical SMILES for (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine is Cc1csc([C@@H]2CN(c3cnc4ccccc4n3)CCO2)n1.
What is the InChIKey of (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine?
The InChIKey is WOHMAEXIPMZKHQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-10-22-16(18-11)14-9-20(6-7-21-14)15-8-17-12-4-2-3-5-13(12)19-15/h2-5,8,10,14H,6-7,9H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine?
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine has a molecular weight of 312.40 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-quinoxalin-2-ylmorpholine is sourced from PubChem (CID 95138385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).