N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C20H21N3O2S2 — CID 24645692

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 24645692) has the molecular formula C20H21N3O2S2 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• PubChem CID: 24645692
• Molecular Formula: C20H21N3O2S2
• Molecular Weight: 399.54 g/mol
• Exact Mass: 399.11
• IUPAC Name: N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
• SMILES: Cc1nc(COc2ccccc2C(=O)Nc2nc3c(s2)CC(C)CC3)cs1
• InChI: InChI=1S/C20H21N3O2S2/c1-12-7-8-16-18(9-12)27-20(22-16)23-19(24)15-5-3-4-6-17(15)25-10-14-11-26-13(2)21-14/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,24)
• InChIKey: LJTNDQWWIRNRRE-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.54
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 24645692) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2ccccc2C(=O)Nc2nc3c(s2)CC(C)CC3)cs1.

What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

The InChIKey is LJTNDQWWIRNRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S2/c1-12-7-8-16-18(9-12)27-20(22-16)23-19(24)15-5-3-4-6-17(15)25-10-14-11-26-13(2)21-14/h3-6,11-12H,7-10H2,1-2H3,(H,22,23,24).

What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 399.54 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 24645692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).