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

C22H27N5O2S — CID 90454151

IUPAC4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine
SMILESCc1csc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C22H27N5O2S/c1-15-14-30-22(25-15)26-16-2-4-18(5-3-16)29-20-13-17(27-8-10-28-11-9-27)12-19-21(20)24-7-6-23-19/h6-7,12-14,16,18H,2-5,8-11H2,1H3,(H,25,26)
InChIKeyHDVUPVBUTZXIQC-UHFFFAOYSA-N
MW425.56 g/mol
LogP4.03
Rot. Bonds5

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

4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine (PubChem CID 90454151) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine
PubChem CID90454151
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine
SMILESCc1csc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C22H27N5O2S/c1-15-14-30-22(25-15)26-16-2-4-18(5-3-16)29-20-13-17(27-8-10-28-11-9-27)12-19-21(20)24-7-6-23-19/h6-7,12-14,16,18H,2-5,8-11H2,1H3,(H,25,26)
InChIKeyHDVUPVBUTZXIQC-UHFFFAOYSA-N
XLogP4.03
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine (CID 90454151) is 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine is Cc1csc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.
What is the InChIKey of 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine?
The InChIKey is HDVUPVBUTZXIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-15-14-30-22(25-15)26-16-2-4-18(5-3-16)29-20-13-17(27-8-10-28-11-9-27)12-19-21(20)24-7-6-23-19/h6-7,12-14,16,18H,2-5,8-11H2,1H3,(H,25,26).
What are the key properties of 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine?
4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine has a molecular weight of 425.56 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 90454151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).