N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine

C21H19N5O2S — CID 46209045

IUPACN-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(Nc3ccc(Oc4nccnc4N4CCOCC4)cc3)nc2c1
InChIInChI=1S/C21H19N5O2S/c1-2-4-18-17(3-1)25-21(29-18)24-15-5-7-16(8-6-15)28-20-19(22-9-10-23-20)26-11-13-27-14-12-26/h1-10H,11-14H2,(H,24,25)
InChIKeyMCPHJRVZGYLLFS-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.46
Rot. Bonds5

About N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine

N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine (PubChem CID 46209045) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine
PubChem CID46209045
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine
SMILESc1ccc2sc(Nc3ccc(Oc4nccnc4N4CCOCC4)cc3)nc2c1
InChIInChI=1S/C21H19N5O2S/c1-2-4-18-17(3-1)25-21(29-18)24-15-5-7-16(8-6-15)28-20-19(22-9-10-23-20)26-11-13-27-14-12-26/h1-10H,11-14H2,(H,24,25)
InChIKeyMCPHJRVZGYLLFS-UHFFFAOYSA-N
XLogP4.46
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine (CID 46209045) is N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine is c1ccc2sc(Nc3ccc(Oc4nccnc4N4CCOCC4)cc3)nc2c1.
What is the InChIKey of N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine?
The InChIKey is MCPHJRVZGYLLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-2-4-18-17(3-1)25-21(29-18)24-15-5-7-16(8-6-15)28-20-19(22-9-10-23-20)26-11-13-27-14-12-26/h1-10H,11-14H2,(H,24,25).
What are the key properties of N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine?
N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine has a molecular weight of 405.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 46209045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).