N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide

C20H23N7O4S2 — CID 122297526

IUPACN-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)s1
InChIInChI=1S/C20H23N7O4S2/c1-13-22-17(11-18(23-13)27-7-9-31-10-8-27)25-15-3-5-16(6-4-15)26-33(29,30)19-12-21-20(32-19)24-14(2)28/h3-6,11-12,26H,7-10H2,1-2H3,(H,21,24,28)(H,22,23,25)
InChIKeyNDNJDIIQGYWPKR-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.58
Rot. Bonds7

About N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 122297526) has the molecular formula C20H23N7O4S2 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID122297526
Molecular FormulaC20H23N7O4S2
Molecular Weight489.58 g/mol
Exact Mass489.13
IUPAC NameN-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)s1
InChIInChI=1S/C20H23N7O4S2/c1-13-22-17(11-18(23-13)27-7-9-31-10-8-27)25-15-3-5-16(6-4-15)26-33(29,30)19-12-21-20(32-19)24-14(2)28/h3-6,11-12,26H,7-10H2,1-2H3,(H,21,24,28)(H,22,23,25)
InChIKeyNDNJDIIQGYWPKR-UHFFFAOYSA-N
XLogP2.58
TPSA138.44 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

2,4,6-trimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 46268127
3,5-difluoro-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297492
4-cyano-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297534
3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide
CID 50753147
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-4-nitrobenzenesulfonamide
CID 46268131
2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297485
4-butoxy-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297290
N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122291516
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748481
N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122322136
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122297508
N-[[5-[[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122326208

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide (CID 122297526) is N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(Nc3cc(N4CCOCC4)nc(C)n3)cc2)s1.
What is the InChIKey of N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is NDNJDIIQGYWPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O4S2/c1-13-22-17(11-18(23-13)27-7-9-31-10-8-27)25-15-3-5-16(6-4-15)26-33(29,30)19-12-21-20(32-19)24-14(2)28/h3-6,11-12,26H,7-10H2,1-2H3,(H,21,24,28)(H,22,23,25).
What are the key properties of N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 489.58 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 122297526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).