cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone

C21H23N3OS2 — CID 158200181

About cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone

cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone (PubChem CID 158200181) has the molecular formula C21H23N3OS2 and a molecular weight of 397.57 g/mol. Its IUPAC name is cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone
• PubChem CID: 158200181
• Molecular Formula: C21H23N3OS2
• Molecular Weight: 397.57 g/mol
• Exact Mass: 397.13
• IUPAC Name: cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone
• SMILES: Cc1nc(C)c(-c2csc(Cc3ccc(C(=O)C4CCCCC4)cn3)n2)s1
• InChI: InChI=1S/C21H23N3OS2/c1-13-21(27-14(2)23-13)18-12-26-19(24-18)10-17-9-8-16(11-22-17)20(25)15-6-4-3-5-7-15/h8-9,11-12,15H,3-7,10H2,1-2H3
• InChIKey: GAVIZNJSCLLCOV-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 55.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.57
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone?

The IUPAC name of cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone (CID 158200181) is cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone.

What is the SMILES notation for cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone?

The canonical SMILES for cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone is Cc1nc(C)c(-c2csc(Cc3ccc(C(=O)C4CCCCC4)cn3)n2)s1.

What is the InChIKey of cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone?

The InChIKey is GAVIZNJSCLLCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS2/c1-13-21(27-14(2)23-13)18-12-26-19(24-18)10-17-9-8-16(11-22-17)20(25)15-6-4-3-5-7-15/h8-9,11-12,15H,3-7,10H2,1-2H3.

What are the key properties of cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone?

cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone has a molecular weight of 397.57 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone is sourced from PubChem (CID 158200181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).