N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine

C21H25N5O2S — CID 90443934

IUPACN-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine
SMILESc1csc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C21H25N5O2S/c1-3-17(4-2-15(1)25-21-24-7-12-29-21)28-19-14-16(26-8-10-27-11-9-26)13-18-20(19)23-6-5-22-18/h5-7,12-15,17H,1-4,8-11H2,(H,24,25)
InChIKeyDYBWVTVPAONCEO-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.72
Rot. Bonds5

About N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine

N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine (PubChem CID 90443934) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine
PubChem CID90443934
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC NameN-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine
SMILESc1csc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C21H25N5O2S/c1-3-17(4-2-15(1)25-21-24-7-12-29-21)28-19-14-16(26-8-10-27-11-9-26)13-18-20(19)23-6-5-22-18/h5-7,12-15,17H,1-4,8-11H2,(H,24,25)
InChIKeyDYBWVTVPAONCEO-UHFFFAOYSA-N
XLogP3.72
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine (CID 90443934) is N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine is c1csc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.
What is the InChIKey of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine?
The InChIKey is DYBWVTVPAONCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-3-17(4-2-15(1)25-21-24-7-12-29-21)28-19-14-16(26-8-10-27-11-9-26)13-18-20(19)23-6-5-22-18/h5-7,12-15,17H,1-4,8-11H2,(H,24,25).
What are the key properties of N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine?
N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine has a molecular weight of 411.53 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 90443934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).