3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide

C22H15N5OS2 — CID 24668934

About 3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide

3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide (PubChem CID 24668934) has the molecular formula C22H15N5OS2 and a molecular weight of 429.53 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
• PubChem CID: 24668934
• Molecular Formula: C22H15N5OS2
• Molecular Weight: 429.53 g/mol
• Exact Mass: 429.07
• IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
• SMILES: O=C(NCc1csc(-c2ccccc2)n1)c1nccnc1-c1nc2ccccc2s1
• InChI: InChI=1S/C22H15N5OS2/c28-20(25-12-15-13-29-21(26-15)14-6-2-1-3-7-14)18-19(24-11-10-23-18)22-27-16-8-4-5-9-17(16)30-22/h1-11,13H,12H2,(H,25,28)
• InChIKey: FJCLUYDUTDMUKF-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 80.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.53
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?

The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide (CID 24668934) is 3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide.

What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?

The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide is O=C(NCc1csc(-c2ccccc2)n1)c1nccnc1-c1nc2ccccc2s1.

What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?

The InChIKey is FJCLUYDUTDMUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5OS2/c28-20(25-12-15-13-29-21(26-15)14-6-2-1-3-7-14)18-19(24-11-10-23-18)22-27-16-8-4-5-9-17(16)30-22/h1-11,13H,12H2,(H,25,28).

What are the key properties of 3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide?

3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzothiazol-2-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 24668934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).