N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]quinolin-2-ylamino)benzamide

C105H92FN25O10S7 — CID 157304940

About N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]quinolin-2-ylamino)benzamide

N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]quinolin-2-ylamino)benzamide (PubChem CID 157304940) has the molecular formula C105H92FN25O10S7 and a molecular weight of 2107.52 g/mol. Its IUPAC name is N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]quinolin-2-ylamino)benzamide.

Molecular Properties

• Compound Name: N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]quinolin-2-ylamino)benzamide
• PubChem CID: 157304940
• Molecular Formula: C105H92FN25O10S7
• Molecular Weight: 2107.52 g/mol
• Exact Mass: 2105.55
• IUPAC Name: N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]quinolin-2-ylamino)benzamide
• SMILES: CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3ncccc32)s1.COc1ccc(C(N)=O)cc1Nc1nc2c(ccc3c2cnn3C)s1.COc1ccc(C(N)=O)cc1Nc1nc2c(ccc3cnccc32)s1.COc1ccc(F)cc1Nc1nc2c(ccc3c2cnn3C)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3c2cnn3C)s1.COc1ccccc1Nc1nc2c(ccc3c2cnn3C)s1
• InChI: InChI=1S/C21H20N4OS.C18H14N4O2S.C17H15N5O2S.C17H16N4O3S2.C16H13FN4OS.C16H14N4OS/c1-12(2)10-13-5-6-14(20(22)26)11-17(13)24-21-25-19-15-4-3-9-23-16(15)7-8-18(19)27-21;1-24-14-4-2-10(17(19)23)8-13(14)21-18-22-16-12-6-7-20-9-11(12)3-5-15(16)25-18;1-22-12-4-6-14-15(10(12)8-19-22)21-17(25-14)20-11-7-9(16(18)23)3-5-13(11)24-2;1-21-13-5-7-15-16(11(13)9-18-21)20-17(25-15)19-12-8-10(26(3,22)23)4-6-14(12)24-2;1-21-12-4-6-14-15(10(12)8-18-21)20-16(23-14)19-11-7-9(17)3-5-13(11)22-2;1-20-12-7-8-14-15(10(12)9-17-20)19-16(22-14)18-11-5-3-4-6-13(11)21-2/h3-9,11-12H,10H2,1-2H3,(H2,22,26)(H,24,25);2-9H,1H3,(H2,19,23)(H,21,22);3-8H,1-2H3,(H2,18,23)(H,20,21);4-9H,1-3H3,(H,19,20);3-8H,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19)
• InChIKey: BCIRMILLDJYYNW-UHFFFAOYSA-N
• XLogP: 22.96
• TPSA: 456.14 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2107.52
LogP ≤ 5	22.96
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]quinolin-2-ylamino)benzamide?

The IUPAC name of N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]quinolin-2-ylamino)benzamide (CID 157304940) is N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]quinolin-2-ylamino)benzamide.

What is the SMILES notation for N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]quinolin-2-ylamino)benzamide?

The canonical SMILES for N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]quinolin-2-ylamino)benzamide is CC(C)Cc1ccc(C(N)=O)cc1Nc1nc2c(ccc3ncccc32)s1.COc1ccc(C(N)=O)cc1Nc1nc2c(ccc3c2cnn3C)s1.COc1ccc(C(N)=O)cc1Nc1nc2c(ccc3cnccc32)s1.COc1ccc(F)cc1Nc1nc2c(ccc3c2cnn3C)s1.COc1ccc(S(C)(=O)=O)cc1Nc1nc2c(ccc3c2cnn3C)s1.COc1ccccc1Nc1nc2c(ccc3c2cnn3C)s1.

What is the InChIKey of N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]quinolin-2-ylamino)benzamide?

The InChIKey is BCIRMILLDJYYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS.C18H14N4O2S.C17H15N5O2S.C17H16N4O3S2.C16H13FN4OS.C16H14N4OS/c1-12(2)10-13-5-6-14(20(22)26)11-17(13)24-21-25-19-15-4-3-9-23-16(15)7-8-18(19)27-21;1-24-14-4-2-10(17(19)23)8-13(14)21-18-22-16-12-6-7-20-9-11(12)3-5-15(16)25-18;1-22-12-4-6-14-15(10(12)8-19-22)21-17(25-14)20-11-7-9(16(18)23)3-5-13(11)24-2;1-21-13-5-7-15-16(11(13)9-18-21)20-17(25-15)19-12-8-10(26(3,22)23)4-6-14(12)24-2;1-21-12-4-6-14-15(10(12)8-18-21)20-16(23-14)19-11-7-9(17)3-5-13(11)22-2;1-20-12-7-8-14-15(10(12)9-17-20)19-16(22-14)18-11-5-3-4-6-13(11)21-2/h3-9,11-12H,10H2,1-2H3,(H2,22,26)(H,24,25);2-9H,1H3,(H2,19,23)(H,21,22);3-8H,1-2H3,(H2,18,23)(H,20,21);4-9H,1-3H3,(H,19,20);3-8H,1-2H3,(H,19,20);3-9H,1-2H3,(H,18,19).

What are the key properties of N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]quinolin-2-ylamino)benzamide?

N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]quinolin-2-ylamino)benzamide has a molecular weight of 2107.52 g/mol, XLogP of 22.96, 23 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-fluoro-2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-[(6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-yl)amino]benzamide;N-(2-methoxy-5-methylsulfonylphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;N-(2-methoxyphenyl)-6-methylpyrazolo[4,5-e][1,3]benzothiazol-2-amine;4-methoxy-3-([1,3]thiazolo[4,5-f]isoquinolin-2-ylamino)benzamide;4-(2-methylpropyl)-3-([1,3]thiazolo[4,5-f]quinolin-2-ylamino)benzamide is sourced from PubChem (CID 157304940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).