4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine

C36H39N7O6S3 — CID 146181367

IUPAC4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine
SMILESCc1nc(NC2CN(c3cc(Oc4ccccc4)cc(-c4cnc(N)s4)n3)CCO2)sc1-c1cc(N2CCOCC2)cc(S(=O)(=O)[C@@H]2CCOC2)c1
InChIInChI=1S/C36H39N7O6S3/c1-23-34(24-15-25(42-8-12-46-13-9-42)17-29(16-24)52(44,45)28-7-11-47-22-28)51-36(39-23)41-33-21-43(10-14-48-33)32-19-27(49-26-5-3-2-4-6-26)18-30(40-32)31-20-38-35(37)50-31/h2-6,15-20,28,33H,7-14,21-22H2,1H3,(H2,37,38)(H,39,41)/t28-,33?/m1/s1
InChIKeyLOTXBOAWCXWTSF-TUDONDPESA-N
MW761.95 g/mol
LogP5.69
Rot. Bonds10

About 4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine

4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine (PubChem CID 146181367) has the molecular formula C36H39N7O6S3 and a molecular weight of 761.95 g/mol. Its IUPAC name is 4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine.

Molecular Properties

Compound Name4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine
PubChem CID146181367
Molecular FormulaC36H39N7O6S3
Molecular Weight761.95 g/mol
Exact Mass761.21
IUPAC Name4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine
SMILESCc1nc(NC2CN(c3cc(Oc4ccccc4)cc(-c4cnc(N)s4)n3)CCO2)sc1-c1cc(N2CCOCC2)cc(S(=O)(=O)[C@@H]2CCOC2)c1
InChIInChI=1S/C36H39N7O6S3/c1-23-34(24-15-25(42-8-12-46-13-9-42)17-29(16-24)52(44,45)28-7-11-47-22-28)51-36(39-23)41-33-21-43(10-14-48-33)32-19-27(49-26-5-3-2-4-6-26)18-30(40-32)31-20-38-35(37)50-31/h2-6,15-20,28,33H,7-14,21-22H2,1H3,(H2,37,38)(H,39,41)/t28-,33?/m1/s1
InChIKeyLOTXBOAWCXWTSF-TUDONDPESA-N
XLogP5.69
TPSA154.26 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500761.95
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine?
The IUPAC name of 4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine (CID 146181367) is 4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine.
What is the SMILES notation for 4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine?
The canonical SMILES for 4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine is Cc1nc(NC2CN(c3cc(Oc4ccccc4)cc(-c4cnc(N)s4)n3)CCO2)sc1-c1cc(N2CCOCC2)cc(S(=O)(=O)[C@@H]2CCOC2)c1.
What is the InChIKey of 4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine?
The InChIKey is LOTXBOAWCXWTSF-TUDONDPESA-N. The full InChI is InChI=1S/C36H39N7O6S3/c1-23-34(24-15-25(42-8-12-46-13-9-42)17-29(16-24)52(44,45)28-7-11-47-22-28)51-36(39-23)41-33-21-43(10-14-48-33)32-19-27(49-26-5-3-2-4-6-26)18-30(40-32)31-20-38-35(37)50-31/h2-6,15-20,28,33H,7-14,21-22H2,1H3,(H2,37,38)(H,39,41)/t28-,33?/m1/s1.
What are the key properties of 4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine?
4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine has a molecular weight of 761.95 g/mol, XLogP of 5.69, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]-N-[4-methyl-5-[3-morpholin-4-yl-5-[(3R)-oxolan-3-yl]sulfonylphenyl]-1,3-thiazol-2-yl]morpholin-2-amine is sourced from PubChem (CID 146181367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).