1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide

C20H23N3O2S — CID 71885629

About 1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide

1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 71885629) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
• PubChem CID: 71885629
• Molecular Formula: C20H23N3O2S
• Molecular Weight: 369.49 g/mol
• Exact Mass: 369.15
• IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
• SMILES: Cc1cc(CNC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)no1
• InChI: InChI=1S/C20H23N3O2S/c1-14-11-15(23-25-14)13-21-19(24)20(9-5-2-6-10-20)12-18-22-16-7-3-4-8-17(16)26-18/h3-4,7-8,11H,2,5-6,9-10,12-13H2,1H3,(H,21,24)
• InChIKey: ZQPXRAFGBYSYQI-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.49
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide?

The IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide (CID 71885629) is 1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide.

What is the SMILES notation for 1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide?

The canonical SMILES for 1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide is Cc1cc(CNC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)no1.

What is the InChIKey of 1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide?

The InChIKey is ZQPXRAFGBYSYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14-11-15(23-25-14)13-21-19(24)20(9-5-2-6-10-20)12-18-22-16-7-3-4-8-17(16)26-18/h3-4,7-8,11H,2,5-6,9-10,12-13H2,1H3,(H,21,24).

What are the key properties of 1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide?

1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzothiazol-2-ylmethyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 71885629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).