2-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]ethyl acetate;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen

C92H106Cl2N28O8S4 — CID 160955358

About 2-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]ethyl acetate;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen

2-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]ethyl acetate;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen (PubChem CID 160955358) has the molecular formula C92H106Cl2N28O8S4 and a molecular weight of 1931.22 g/mol. Its IUPAC name is 2-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]ethyl acetate;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]ethyl acetate;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen
• PubChem CID: 160955358
• Molecular Formula: C92H106Cl2N28O8S4
• Molecular Weight: 1931.22 g/mol
• Exact Mass: 1928.70
• IUPAC Name: 2-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]ethyl acetate;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen
• SMILES: CC(=O)OCCc1cnc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)nc1Nc1cc(C2CC2)[nH]n1.CC(=O)c1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.CC(O)c1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.O=C1CCCc2nc(-c3ncc(Cl)c(Nc4cc(C5CC5)[nH]n4)n3)sc21.OC1CCCc2nc(-c3ncc(Cl)c(Nc4cc(C5CC5)[nH]n4)n3)sc21.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C22H28N6O4S2.C18H19N5O.C18H17N5O.C17H17ClN6OS.C17H15ClN6OS.5H2/c1-13(29)32-10-9-15-12-23-21(17-7-8-19(33-17)34(30,31)28-22(2,3)4)25-20(15)24-18-11-16(26-27-18)14-5-6-14;2*1-11(24)12-2-6-14(7-3-12)18-19-9-8-16(21-18)20-17-10-15(22-23-17)13-4-5-13;2*18-9-7-19-16(17-20-10-2-1-3-12(25)14(10)26-17)22-15(9)21-13-6-11(23-24-13)8-4-5-8;;;;;/h7-8,11-12,14,28H,5-6,9-10H2,1-4H3,(H2,23,24,25,26,27);2-3,6-11,13,24H,4-5H2,1H3,(H2,19,20,21,22,23);2-3,6-10,13H,4-5H2,1H3,(H2,19,20,21,22,23);6-8,12,25H,1-5H2,(H2,19,21,22,23,24);6-8H,1-5H2,(H2,19,21,22,23,24);5*1H
• InChIKey: SWHUJNVZXIHYPU-UHFFFAOYSA-N
• XLogP: 20.28
• TPSA: 505.30 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1931.22
LogP ≤ 5	20.28
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]ethyl acetate;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen?

The IUPAC name of 2-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]ethyl acetate;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen (CID 160955358) is 2-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]ethyl acetate;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen.

What is the SMILES notation for 2-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]ethyl acetate;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen?

The canonical SMILES for 2-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]ethyl acetate;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen is CC(=O)OCCc1cnc(-c2ccc(S(=O)(=O)NC(C)(C)C)s2)nc1Nc1cc(C2CC2)[nH]n1.CC(=O)c1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.CC(O)c1ccc(-c2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1.O=C1CCCc2nc(-c3ncc(Cl)c(Nc4cc(C5CC5)[nH]n4)n3)sc21.OC1CCCc2nc(-c3ncc(Cl)c(Nc4cc(C5CC5)[nH]n4)n3)sc21.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]ethyl acetate;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen?

The InChIKey is SWHUJNVZXIHYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4S2.C18H19N5O.C18H17N5O.C17H17ClN6OS.C17H15ClN6OS.5H2/c1-13(29)32-10-9-15-12-23-21(17-7-8-19(33-17)34(30,31)28-22(2,3)4)25-20(15)24-18-11-16(26-27-18)14-5-6-14;2*1-11(24)12-2-6-14(7-3-12)18-19-9-8-16(21-18)20-17-10-15(22-23-17)13-4-5-13;2*18-9-7-19-16(17-20-10-2-1-3-12(25)14(10)26-17)22-15(9)21-13-6-11(23-24-13)8-4-5-8;;;;;/h7-8,11-12,14,28H,5-6,9-10H2,1-4H3,(H2,23,24,25,26,27);2-3,6-11,13,24H,4-5H2,1H3,(H2,19,20,21,22,23);2-3,6-10,13H,4-5H2,1H3,(H2,19,20,21,22,23);6-8,12,25H,1-5H2,(H2,19,21,22,23,24);6-8H,1-5H2,(H2,19,21,22,23,24);5*1H.

What are the key properties of 2-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]ethyl acetate;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen?

2-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]ethyl acetate;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen has a molecular weight of 1931.22 g/mol, XLogP of 20.28, 27 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[5-(tert-butylsulfamoyl)thiophen-2-yl]-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-5-yl]ethyl acetate;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-5,6-dihydro-4H-1,3-benzothiazol-7-one;2-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanol;1-[4-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]phenyl]ethanone;molecular hydrogen is sourced from PubChem (CID 160955358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).