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

C18H16N8O3S2 — CID 122291516

IUPACN-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)s1
InChIInChI=1S/C18H16N8O3S2/c1-12(27)23-18-20-9-17(30-18)31(28,29)25-14-4-2-13(3-5-14)24-15-8-16(22-10-21-15)26-7-6-19-11-26/h2-11,25H,1H3,(H,20,23,27)(H,21,22,24)
InChIKeyVWBALJFTNBVQIE-UHFFFAOYSA-N
MW456.51 g/mol
LogP2.62
Rot. Bonds7

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

N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 122291516) has the molecular formula C18H16N8O3S2 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID122291516
Molecular FormulaC18H16N8O3S2
Molecular Weight456.51 g/mol
Exact Mass456.08
IUPAC NameN-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)s1
InChIInChI=1S/C18H16N8O3S2/c1-12(27)23-18-20-9-17(30-18)31(28,29)25-14-4-2-13(3-5-14)24-15-8-16(22-10-21-15)26-7-6-19-11-26/h2-11,25H,1H3,(H,20,23,27)(H,21,22,24)
InChIKeyVWBALJFTNBVQIE-UHFFFAOYSA-N
XLogP2.62
TPSA143.79 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-4-methylbenzenesulfonamide
CID 121074106
N-[5-[[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122309910
N-[5-[[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122297526
2,5-dichloro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121074115
N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122322136
2-cyclopentyl-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122291339
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 122291297
N-(6-imidazol-1-ylpyrimidin-4-yl)thiophene-2-sulfonamide
CID 121135238
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122291300
N-[[5-[[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122312172
4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121073828
1-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(2-methylphenyl)urea
CID 70702504

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide (CID 122291516) is N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(Nc3cc(-n4ccnc4)ncn3)cc2)s1.
What is the InChIKey of N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is VWBALJFTNBVQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N8O3S2/c1-12(27)23-18-20-9-17(30-18)31(28,29)25-14-4-2-13(3-5-14)24-15-8-16(22-10-21-15)26-7-6-19-11-26/h2-11,25H,1H3,(H,20,23,27)(H,21,22,24).
What are the key properties of N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 456.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 122291516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).