4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide

C22H26N6OS — CID 58707212

About 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide

4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 58707212) has the molecular formula C22H26N6OS and a molecular weight of 422.56 g/mol. Its IUPAC name is 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide
• PubChem CID: 58707212
• Molecular Formula: C22H26N6OS
• Molecular Weight: 422.56 g/mol
• Exact Mass: 422.19
• IUPAC Name: 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide
• SMILES: Cc1ccnc(Nc2cccc(-c3cnc(N(C)C4CCC(C(N)=O)CC4)s3)n2)c1
• InChI: InChI=1S/C22H26N6OS/c1-14-10-11-24-20(12-14)27-19-5-3-4-17(26-19)18-13-25-22(30-18)28(2)16-8-6-15(7-9-16)21(23)29/h3-5,10-13,15-16H,6-9H2,1-2H3,(H2,23,29)(H,24,26,27)
• InChIKey: FMZZXNGDMJQVHR-UHFFFAOYSA-N
• XLogP: 4.13
• TPSA: 97.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.56
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide?

The IUPAC name of 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide (CID 58707212) is 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide.

What is the SMILES notation for 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide?

The canonical SMILES for 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide is Cc1ccnc(Nc2cccc(-c3cnc(N(C)C4CCC(C(N)=O)CC4)s3)n2)c1.

What is the InChIKey of 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide?

The InChIKey is FMZZXNGDMJQVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6OS/c1-14-10-11-24-20(12-14)27-19-5-3-4-17(26-19)18-13-25-22(30-18)28(2)16-8-6-15(7-9-16)21(23)29/h3-5,10-13,15-16H,6-9H2,1-2H3,(H2,23,29)(H,24,26,27).

What are the key properties of 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide?

4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 422.56 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[methyl-[5-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-1,3-thiazol-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 58707212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).