N-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine

C17H18N4O2S — CID 133266496

IUPACN-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine
SMILESc1ccc2nc(N[C@H]3COCC[C@H]3OCc3cscn3)cnc2c1
InChIInChI=1S/C17H18N4O2S/c1-2-4-14-13(3-1)18-7-17(20-14)21-15-9-22-6-5-16(15)23-8-12-10-24-11-19-12/h1-4,7,10-11,15-16H,5-6,8-9H2,(H,20,21)/t15-,16+/m0/s1
InChIKeyOSNCKEMGIKHWMC-JKSUJKDBSA-N
MW342.42 g/mol
LogP2.87
Rot. Bonds5

About N-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine

N-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine (PubChem CID 133266496) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine
PubChem CID133266496
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine
SMILESc1ccc2nc(N[C@H]3COCC[C@H]3OCc3cscn3)cnc2c1
InChIInChI=1S/C17H18N4O2S/c1-2-4-14-13(3-1)18-7-17(20-14)21-15-9-22-6-5-16(15)23-8-12-10-24-11-19-12/h1-4,7,10-11,15-16H,5-6,8-9H2,(H,20,21)/t15-,16+/m0/s1
InChIKeyOSNCKEMGIKHWMC-JKSUJKDBSA-N
XLogP2.87
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine?
The IUPAC name of N-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine (CID 133266496) is N-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine.
What is the SMILES notation for N-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine?
The canonical SMILES for N-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine is c1ccc2nc(N[C@H]3COCC[C@H]3OCc3cscn3)cnc2c1.
What is the InChIKey of N-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine?
The InChIKey is OSNCKEMGIKHWMC-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-2-4-14-13(3-1)18-7-17(20-14)21-15-9-22-6-5-16(15)23-8-12-10-24-11-19-12/h1-4,7,10-11,15-16H,5-6,8-9H2,(H,20,21)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine?
N-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine has a molecular weight of 342.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]quinoxalin-2-amine is sourced from PubChem (CID 133266496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).