N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-methyl-4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide

C44H49N9O3S2 — CID 157474505

About N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-methyl-4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide

N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-methyl-4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide (PubChem CID 157474505) has the molecular formula C44H49N9O3S2 and a molecular weight of 816.07 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-methyl-4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-methyl-4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
• PubChem CID: 157474505
• Molecular Formula: C44H49N9O3S2
• Molecular Weight: 816.07 g/mol
• Exact Mass: 815.34
• IUPAC Name: N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-methyl-4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide
• SMILES: CC1CCCCC1Nc1nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2s1.CNC(=O)c1cc(Oc2ccc3nc(NC4CCCCC4C)sc3c2)ccn1
• InChI: InChI=1S/C23H25N5OS.C21H24N4O2S/c1-15-5-3-4-6-19(15)26-23-27-20-8-7-17(12-22(20)30-23)29-18-9-10-24-21(11-18)16-13-25-28(2)14-16;1-13-5-3-4-6-16(13)24-21-25-17-8-7-14(12-19(17)28-21)27-15-9-10-23-18(11-15)20(26)22-2/h7-15,19H,3-6H2,1-2H3,(H,26,27);7-13,16H,3-6H2,1-2H3,(H,22,26)(H,24,25)
• InChIKey: BVKUNJNDGLVBGH-UHFFFAOYSA-N
• XLogP: 10.71
• TPSA: 141.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	816.07
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-methyl-4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide?

The IUPAC name of N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-methyl-4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide (CID 157474505) is N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-methyl-4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide.

What is the SMILES notation for N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-methyl-4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide?

The canonical SMILES for N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-methyl-4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide is CC1CCCCC1Nc1nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)cc2s1.CNC(=O)c1cc(Oc2ccc3nc(NC4CCCCC4C)sc3c2)ccn1.

What is the InChIKey of N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-methyl-4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide?

The InChIKey is BVKUNJNDGLVBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS.C21H24N4O2S/c1-15-5-3-4-6-19(15)26-23-27-20-8-7-17(12-22(20)30-23)29-18-9-10-24-21(11-18)16-13-25-28(2)14-16;1-13-5-3-4-6-16(13)24-21-25-17-8-7-14(12-19(17)28-21)27-15-9-10-23-18(11-15)20(26)22-2/h7-15,19H,3-6H2,1-2H3,(H,26,27);7-13,16H,3-6H2,1-2H3,(H,22,26)(H,24,25).

What are the key properties of N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-methyl-4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide?

N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-methyl-4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide has a molecular weight of 816.07 g/mol, XLogP of 10.71, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-methylcyclohexyl)-6-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-1,3-benzothiazol-2-amine;N-methyl-4-[[2-[(2-methylcyclohexyl)amino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 157474505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).