1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one

C15H16N4OS — CID 79760651

IUPAC1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one
SMILESCCCNc1ncc(Cn2c(=O)cnc3ccccc32)s1
InChIInChI=1S/C15H16N4OS/c1-2-7-16-15-18-8-11(21-15)10-19-13-6-4-3-5-12(13)17-9-14(19)20/h3-6,8-9H,2,7,10H2,1H3,(H,16,18)
InChIKeyMPCNVZJLRBBNJC-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.72
Rot. Bonds5

About 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one

1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one (PubChem CID 79760651) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one
PubChem CID79760651
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one
SMILESCCCNc1ncc(Cn2c(=O)cnc3ccccc32)s1
InChIInChI=1S/C15H16N4OS/c1-2-7-16-15-18-8-11(21-15)10-19-13-6-4-3-5-12(13)17-9-14(19)20/h3-6,8-9H,2,7,10H2,1H3,(H,16,18)
InChIKeyMPCNVZJLRBBNJC-UHFFFAOYSA-N
XLogP2.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one?
The IUPAC name of 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one (CID 79760651) is 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one.
What is the SMILES notation for 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one?
The canonical SMILES for 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one is CCCNc1ncc(Cn2c(=O)cnc3ccccc32)s1.
What is the InChIKey of 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one?
The InChIKey is MPCNVZJLRBBNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-7-16-15-18-8-11(21-15)10-19-13-6-4-3-5-12(13)17-9-14(19)20/h3-6,8-9H,2,7,10H2,1H3,(H,16,18).
What are the key properties of 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one?
1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one has a molecular weight of 300.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(propylamino)-1,3-thiazol-5-yl]methyl]quinoxalin-2-one is sourced from PubChem (CID 79760651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).