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

C22H27N5O2S2 — CID 121335918

IUPAC2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine
SMILESCSc1nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cs1
InChIInChI=1S/C22H27N5O2S2/c1-30-22-26-20(14-31-22)25-15-2-4-17(5-3-15)29-19-13-16(27-8-10-28-11-9-27)12-18-21(19)24-7-6-23-18/h6-7,12-15,17,25H,2-5,8-11H2,1H3
InChIKeyKMFRSWGWBQTBEM-UHFFFAOYSA-N
MW457.63 g/mol
LogP4.45
Rot. Bonds6

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

2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine (PubChem CID 121335918) has the molecular formula C22H27N5O2S2 and a molecular weight of 457.63 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine
PubChem CID121335918
Molecular FormulaC22H27N5O2S2
Molecular Weight457.63 g/mol
Exact Mass457.16
IUPAC Name2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine
SMILESCSc1nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cs1
InChIInChI=1S/C22H27N5O2S2/c1-30-22-26-20(14-31-22)25-15-2-4-17(5-3-15)29-19-13-16(27-8-10-28-11-9-27)12-18-21(19)24-7-6-23-18/h6-7,12-15,17,25H,2-5,8-11H2,1H3
InChIKeyKMFRSWGWBQTBEM-UHFFFAOYSA-N
XLogP4.45
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.63
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-N,2-N-dimethyl-4-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335685
5-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrazin-2-amine
CID 90454133
2-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-4-pyridinyl]propan-2-ol
CID 121335604
4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide
CID 90443995
2-(methylamino)-4-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-6-one
CID 137058933
4-(methoxymethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335607
3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335611
6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-4-carbonitrile
CID 90454060
5-fluoro-4-N-methyl-2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,4-diamine
CID 121335706
5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine
CID 90454078
5-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-3-amine
CID 121335923
3,5-dimethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335619

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine?
The IUPAC name of 2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine (CID 121335918) is 2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine is CSc1nc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)cs1.
What is the InChIKey of 2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine?
The InChIKey is KMFRSWGWBQTBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S2/c1-30-22-26-20(14-31-22)25-15-2-4-17(5-3-15)29-19-13-16(27-8-10-28-11-9-27)12-18-21(19)24-7-6-23-18/h6-7,12-15,17,25H,2-5,8-11H2,1H3.
What are the key properties of 2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine?
2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine has a molecular weight of 457.63 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 121335918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).