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

C23H27N5O3S — CID 90443995

IUPAC4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C23H27N5O3S/c1-15-14-32-23(26-15)22(29)27-16-2-4-18(5-3-16)31-20-13-17(28-8-10-30-11-9-28)12-19-21(20)25-7-6-24-19/h6-7,12-14,16,18H,2-5,8-11H2,1H3,(H,27,29)
InChIKeyJVICEXHVORFVGP-UHFFFAOYSA-N
MW453.57 g/mol
LogP3.35
Rot. Bonds5

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

4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide (PubChem CID 90443995) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide
PubChem CID90443995
Molecular FormulaC23H27N5O3S
Molecular Weight453.57 g/mol
Exact Mass453.18
IUPAC Name4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide
SMILESCc1csc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1
InChIInChI=1S/C23H27N5O3S/c1-15-14-32-23(26-15)22(29)27-16-2-4-18(5-3-16)31-20-13-17(28-8-10-30-11-9-28)12-19-21(20)25-7-6-24-19/h6-7,12-14,16,18H,2-5,8-11H2,1H3,(H,27,29)
InChIKeyJVICEXHVORFVGP-UHFFFAOYSA-N
XLogP3.35
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide with MolForge

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Related Compounds

N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 86281319
N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridazine-3-carboxamide
CID 86281578
5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide
CID 90443960
3-fluoro-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-4-carboxamide
CID 86281846
methyl 4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexane-1-carboxylate
CID 86282798
2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyrimidine-5-carboxamide
CID 138546172
2-methylsulfanyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-4-amine
CID 121335918
N-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]acetamide
CID 121335573
N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide
CID 121335836
methyl 6-methyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]methyl]pyrimidine-4-carboxylate
CID 157357366
3-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine
CID 121335611
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 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide (CID 90443995) is 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide is Cc1csc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.
What is the InChIKey of 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide?
The InChIKey is JVICEXHVORFVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-15-14-32-23(26-15)22(29)27-16-2-4-18(5-3-16)31-20-13-17(28-8-10-30-11-9-28)12-19-21(20)25-7-6-24-19/h6-7,12-14,16,18H,2-5,8-11H2,1H3,(H,27,29).
What are the key properties of 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide?
4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 3.35, 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-thiazole-2-carboxamide is sourced from PubChem (CID 90443995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).