5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine

C26H28N6OS — CID 108771899

IUPAC5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2nc(Nc3nc4ccccc4nc3N3CCCC3)sc2CN2CCOCC2)cc1
InChIInChI=1S/C26H28N6OS/c1-2-8-19(9-3-1)23-22(18-31-14-16-33-17-15-31)34-26(29-23)30-24-25(32-12-6-7-13-32)28-21-11-5-4-10-20(21)27-24/h1-5,8-11H,6-7,12-18H2,(H,27,29,30)
InChIKeyAASHUHBVOLZUNZ-UHFFFAOYSA-N
MW472.62 g/mol
LogP4.93
Rot. Bonds6

About 5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine

5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine (PubChem CID 108771899) has the molecular formula C26H28N6OS and a molecular weight of 472.62 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine
PubChem CID108771899
Molecular FormulaC26H28N6OS
Molecular Weight472.62 g/mol
Exact Mass472.20
IUPAC Name5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine
SMILESc1ccc(-c2nc(Nc3nc4ccccc4nc3N3CCCC3)sc2CN2CCOCC2)cc1
InChIInChI=1S/C26H28N6OS/c1-2-8-19(9-3-1)23-22(18-31-14-16-33-17-15-31)34-26(29-23)30-24-25(32-12-6-7-13-32)28-21-11-5-4-10-20(21)27-24/h1-5,8-11H,6-7,12-18H2,(H,27,29,30)
InChIKeyAASHUHBVOLZUNZ-UHFFFAOYSA-N
XLogP4.93
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 16644485
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 17163599
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]cyclopropanesulfonamide
CID 108780412
N-(6-chloro-2-ethylpyrimidin-4-yl)-5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-amine
CID 108771925
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]butanamide
CID 108726888
4-methoxy-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzenesulfonamide
CID 108780400
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]pentanamide
CID 108726837
2-bromo-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 108750928
2-(1,3-dioxoisoindol-2-yl)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 108750942
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]-4-phenoxybutanamide
CID 108750995
[3-[[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108750906
2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 108726929

Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine (CID 108771899) is 5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine is c1ccc(-c2nc(Nc3nc4ccccc4nc3N3CCCC3)sc2CN2CCOCC2)cc1.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine?
The InChIKey is AASHUHBVOLZUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6OS/c1-2-8-19(9-3-1)23-22(18-31-14-16-33-17-15-31)34-26(29-23)30-24-25(32-12-6-7-13-32)28-21-11-5-4-10-20(21)27-24/h1-5,8-11H,6-7,12-18H2,(H,27,29,30).
What are the key properties of 5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine?
5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine has a molecular weight of 472.62 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-4-phenyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 108771899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).