N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine

C17H19N5OS — CID 84594921

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine
SMILESCc1ncsc1CNc1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C17H19N5OS/c1-12-15(24-11-19-12)10-18-16-17(22-6-8-23-9-7-22)21-14-5-3-2-4-13(14)20-16/h2-5,11H,6-10H2,1H3,(H,18,20)
InChIKeyYLJBECUPAKKPOC-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.84
Rot. Bonds4

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine (PubChem CID 84594921) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine
PubChem CID84594921
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine
SMILESCc1ncsc1CNc1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C17H19N5OS/c1-12-15(24-11-19-12)10-18-16-17(22-6-8-23-9-7-22)21-14-5-3-2-4-13(14)20-16/h2-5,11H,6-10H2,1H3,(H,18,20)
InChIKeyYLJBECUPAKKPOC-UHFFFAOYSA-N
XLogP2.84
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine (CID 84594921) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine is Cc1ncsc1CNc1nc2ccccc2nc1N1CCOCC1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine?
The InChIKey is YLJBECUPAKKPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-12-15(24-11-19-12)10-18-16-17(22-6-8-23-9-7-22)21-14-5-3-2-4-13(14)20-16/h2-5,11H,6-10H2,1H3,(H,18,20).
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine has a molecular weight of 341.44 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-morpholin-4-ylquinoxalin-2-amine is sourced from PubChem (CID 84594921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).