5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine

C37H36N8O5S3 — CID 146181380

IUPAC5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1cc(S(=O)(=O)c2cccc(C3CN(c4cc(Oc5ccccc5)cc(-c5cnc(N)s5)n4)CCO3)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C37H36N8O5S3/c1-23-35(52-37(39)41-23)30-19-28(20-34(43-30)44-10-13-48-14-11-44)53(46,47)27-9-5-6-24(16-27)31-22-45(12-15-49-31)33-18-26(50-25-7-3-2-4-8-25)17-29(42-33)32-21-40-36(38)51-32/h2-9,16-21,31H,10-15,22H2,1H3,(H2,38,40)(H2,39,41)
InChIKeyLIIXPBSHIUVSNM-UHFFFAOYSA-N
MW768.95 g/mol
LogP6.24
Rot. Bonds9

About 5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine

5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 146181380) has the molecular formula C37H36N8O5S3 and a molecular weight of 768.95 g/mol. Its IUPAC name is 5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID146181380
Molecular FormulaC37H36N8O5S3
Molecular Weight768.95 g/mol
Exact Mass768.20
IUPAC Name5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1cc(S(=O)(=O)c2cccc(C3CN(c4cc(Oc5ccccc5)cc(-c5cnc(N)s5)n4)CCO3)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C37H36N8O5S3/c1-23-35(52-37(39)41-23)30-19-28(20-34(43-30)44-10-13-48-14-11-44)53(46,47)27-9-5-6-24(16-27)31-22-45(12-15-49-31)33-18-26(50-25-7-3-2-4-8-25)17-29(42-33)32-21-40-36(38)51-32/h2-9,16-21,31H,10-15,22H2,1H3,(H2,38,40)(H2,39,41)
InChIKeyLIIXPBSHIUVSNM-UHFFFAOYSA-N
XLogP6.24
TPSA171.91 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500768.95
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine (CID 146181380) is 5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1cc(S(=O)(=O)c2cccc(C3CN(c4cc(Oc5ccccc5)cc(-c5cnc(N)s5)n4)CCO3)c2)cc(N2CCOCC2)n1.
What is the InChIKey of 5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is LIIXPBSHIUVSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N8O5S3/c1-23-35(52-37(39)41-23)30-19-28(20-34(43-30)44-10-13-48-14-11-44)53(46,47)27-9-5-6-24(16-27)31-22-45(12-15-49-31)33-18-26(50-25-7-3-2-4-8-25)17-29(42-33)32-21-40-36(38)51-32/h2-9,16-21,31H,10-15,22H2,1H3,(H2,38,40)(H2,39,41).
What are the key properties of 5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 768.95 g/mol, XLogP of 6.24, 9 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[4-[6-(2-amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 146181380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).