2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide

C22H26N6O3S — CID 121335856

IUPAC2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C22H26N6O3S/c23-21(29)18-13-32-22(27-18)26-14-1-3-16(4-2-14)31-19-12-15(28-7-9-30-10-8-28)11-17-20(19)25-6-5-24-17/h5-6,11-14,16H,1-4,7-10H2,(H2,23,29)(H,26,27)
InChIKeyFZGDIBFHKZPUBB-UHFFFAOYSA-N
MW454.56 g/mol
LogP2.82
Rot. Bonds6

About 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide

2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide (PubChem CID 121335856) has the molecular formula C22H26N6O3S and a molecular weight of 454.56 g/mol. Its IUPAC name is 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide
PubChem CID121335856
Molecular FormulaC22H26N6O3S
Molecular Weight454.56 g/mol
Exact Mass454.18
IUPAC Name2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C22H26N6O3S/c23-21(29)18-13-32-22(27-18)26-14-1-3-16(4-2-14)31-19-12-15(28-7-9-30-10-8-28)11-17-20(19)25-6-5-24-17/h5-6,11-14,16H,1-4,7-10H2,(H2,23,29)(H,26,27)
InChIKeyFZGDIBFHKZPUBB-UHFFFAOYSA-N
XLogP2.82
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide (CID 121335856) is 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide is NC(=O)c1csc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.
What is the InChIKey of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide?
The InChIKey is FZGDIBFHKZPUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S/c23-21(29)18-13-32-22(27-18)26-14-1-3-16(4-2-14)31-19-12-15(28-7-9-30-10-8-28)11-17-20(19)25-6-5-24-17/h5-6,11-14,16H,1-4,7-10H2,(H2,23,29)(H,26,27).
What are the key properties of 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide?
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide has a molecular weight of 454.56 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 121335856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).